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1236201-15-2 | Pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid, 4-amino-
CAS No: 1236201-15-2 Catalog No: AG000KW4 MDL No:MFCD20646111
Product Description
Catalog Number:
AG000KW4
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid, 4-amino-
CAS Number:
1236201-15-2
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
MDL Number:
MFCD20646111
IUPAC Name:
4-aminopyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid
InChI:
InChI=1S/C7H6N4O2/c8-6-5-4(7(12)13)1-2-11(5)10-3-9-6/h1-3H,(H,12,13)(H2,8,9,10)
InChI Key:
LDGURUYQUUPXPF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccn2c1c(N)ncn2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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