5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine

C11H14N4 — CID 96619332

IUPAC5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine
SMILESCc1nc2c(c(N)nn2C)c2c1CCC2
InChIInChI=1S/C11H14N4/c1-6-7-4-3-5-8(7)9-10(12)14-15(2)11(9)13-6/h3-5H2,1-2H3,(H2,12,14)
InChIKeyAMVSIJJGIWLECF-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.35
Rot. Bonds

About 5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine

5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine (PubChem CID 96619332) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine.

Molecular Properties

Compound Name5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine
PubChem CID96619332
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine
SMILESCc1nc2c(c(N)nn2C)c2c1CCC2
InChIInChI=1S/C11H14N4/c1-6-7-4-3-5-8(7)9-10(12)14-15(2)11(9)13-6/h3-5H2,1-2H3,(H2,12,14)
InChIKeyAMVSIJJGIWLECF-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine with MolForge

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Related Compounds

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CID 96610505
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CID 5299649
6-cyclopropyl-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 175246786
1,3,4,6-tetramethylpyrazolo[5,4-b]pyridine
CID 2264673
ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
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6-N-(2,3-dihydro-1H-inden-4-yl)-5-fluoro-1-methylpyrazolo[3,4-b]pyridine-3,6-diamine
CID 152576373
1,4-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 58719909
N-(1,3-dimethyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678241
1,3,5,6-tetramethyl-4-propylpyrazolo[3,4-b]pyridine
CID 142348062
2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride
CID 75530624
4,6-dimethyl-N-phenyl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 91823076
2,4,9-trimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole
CID 22896641

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine?
The IUPAC name of 5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine (CID 96619332) is 5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine.
What is the SMILES notation for 5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine?
The canonical SMILES for 5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine is Cc1nc2c(c(N)nn2C)c2c1CCC2.
What is the InChIKey of 5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine?
The InChIKey is AMVSIJJGIWLECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-6-7-4-3-5-8(7)9-10(12)14-15(2)11(9)13-6/h3-5H2,1-2H3,(H2,12,14).
What are the key properties of 5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine?
5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine has a molecular weight of 202.26 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraen-3-amine is sourced from PubChem (CID 96619332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).