4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine

C19H19N7O — CID 134167114

IUPAC4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine
SMILESCC1CCOc2cc(-c3ccnc(Nc4ccnn4C)c3)cc3nnc1n23
InChIInChI=1S/C19H19N7O/c1-12-5-8-27-18-11-14(10-17-23-24-19(12)26(17)18)13-3-6-20-15(9-13)22-16-4-7-21-25(16)2/h3-4,6-7,9-12H,5,8H2,1-2H3,(H,20,22)
InChIKeyYDNNBFNGDSGYFC-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.15
Rot. Bonds3

About 4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine

4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine (PubChem CID 134167114) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine
PubChem CID134167114
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine
SMILESCC1CCOc2cc(-c3ccnc(Nc4ccnn4C)c3)cc3nnc1n23
InChIInChI=1S/C19H19N7O/c1-12-5-8-27-18-11-14(10-17-23-24-19(12)26(17)18)13-3-6-20-15(9-13)22-16-4-7-21-25(16)2/h3-4,6-7,9-12H,5,8H2,1-2H3,(H,20,22)
InChIKeyYDNNBFNGDSGYFC-UHFFFAOYSA-N
XLogP3.15
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine (CID 134167114) is 4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine is CC1CCOc2cc(-c3ccnc(Nc4ccnn4C)c3)cc3nnc1n23.
What is the InChIKey of 4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is YDNNBFNGDSGYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-12-5-8-27-18-11-14(10-17-23-24-19(12)26(17)18)13-3-6-20-15(9-13)22-16-4-7-21-25(16)2/h3-4,6-7,9-12H,5,8H2,1-2H3,(H,20,22).
What are the key properties of 4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine?
4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 361.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(12-methyl-9-oxa-2,3,13-triazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-6-yl)-N-(2-methylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 134167114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).