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1004781-36-5 | Pyrido[2,3-d]pyrrolo[1,2-a]pyrimidine, 5,7,8,9,9a,10-hexahydro-
CAS No: 1004781-36-5 Catalog No: AG00022L MDL No:
Product Description
Catalog Number:
AG00022L
Chemical Name:
Pyrido[2,3-d]pyrrolo[1,2-a]pyrimidine, 5,7,8,9,9a,10-hexahydro-
CAS Number:
1004781-36-5
Molecular Formula:
C10H13N3
Molecular Weight:
175.2303
IUPAC Name:
2,7,13-triazatricyclo[7.4.0.03,7]trideca-1(9),10,12-triene
InChI:
InChI=1S/C10H13N3/c1-3-8-7-13-6-2-4-9(13)12-10(8)11-5-1/h1,3,5,9H,2,4,6-7H2,(H,11,12)
InChI Key:
BVCONXOJOPFNRF-UHFFFAOYSA-N
SMILES:
C1CN2C(C1)Nc1c(C2)cccn1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.235g/mol
Monoisotopic Mass:
175.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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