10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

C14H11N5 — CID 58382420

IUPAC10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCc1cc(-c2ncn3c2cnc2[nH]ccc23)ccn1
InChIInChI=1S/C14H11N5/c1-9-6-10(2-4-15-9)13-12-7-17-14-11(3-5-16-14)19(12)8-18-13/h2-8,16H,1H3
InChIKeySAEHFKMCYIVTBQ-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.58
Rot. Bonds1

About 10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene

10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (PubChem CID 58382420) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.

Molecular Properties

Compound Name10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
PubChem CID58382420
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
SMILESCc1cc(-c2ncn3c2cnc2[nH]ccc23)ccn1
InChIInChI=1S/C14H11N5/c1-9-6-10(2-4-15-9)13-12-7-17-14-11(3-5-16-14)19(12)8-18-13/h2-8,16H,1H3
InChIKeySAEHFKMCYIVTBQ-UHFFFAOYSA-N
XLogP2.58
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The IUPAC name of 10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene (CID 58382420) is 10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene.
What is the SMILES notation for 10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The canonical SMILES for 10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is Cc1cc(-c2ncn3c2cnc2[nH]ccc23)ccn1.
What is the InChIKey of 10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
The InChIKey is SAEHFKMCYIVTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-9-6-10(2-4-15-9)13-12-7-17-14-11(3-5-16-14)19(12)8-18-13/h2-8,16H,1H3.
What are the key properties of 10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene?
10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene has a molecular weight of 249.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methyl-4-pyridinyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene is sourced from PubChem (CID 58382420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).