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833458-98-3 | 5,9-Methano-5H-pyrimido[4,5-d]azepine, 6,7,8,9-tetrahydro-2-methyl-
CAS No: 833458-98-3 Catalog No: AG004W8R MDL No:
Product Description
Catalog Number:
AG004W8R
Chemical Name:
5,9-Methano-5H-pyrimido[4,5-d]azepine, 6,7,8,9-tetrahydro-2-methyl-
CAS Number:
833458-98-3
Molecular Formula:
C10H13N3
Molecular Weight:
175.2303
IUPAC Name:
4-methyl-3,5,10-triazatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
InChI:
InChI=1S/C10H13N3/c1-6-12-5-9-7-2-8(4-11-3-7)10(9)13-6/h5,7-8,11H,2-4H2,1H3
InChI Key:
ZZLFBMKHRWVJDQ-UHFFFAOYSA-N
SMILES:
Cc1ncc2c(n1)C1CNCC2C1
Properties
Complexity:
206
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:
37.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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