4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene

C21H20N6 — CID 134439630

IUPAC4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncnn4c2)C2CCC3CC2)n1
InChIInChI=1S/C21H20N6/c1-13-3-2-4-17(24-13)20-19(15-7-10-18-22-12-23-26(18)11-15)21-14-5-8-16(9-6-14)27(21)25-20/h2-4,7,10-12,14,16H,5-6,8-9H2,1H3
InChIKeyCKUFSCILDUIBGC-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.18
Rot. Bonds2

About 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene

4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene (PubChem CID 134439630) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene.

Molecular Properties

Compound Name4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene
PubChem CID134439630
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncnn4c2)C2CCC3CC2)n1
InChIInChI=1S/C21H20N6/c1-13-3-2-4-17(24-13)20-19(15-7-10-18-22-12-23-26(18)11-15)21-14-5-8-16(9-6-14)27(21)25-20/h2-4,7,10-12,14,16H,5-6,8-9H2,1H3
InChIKeyCKUFSCILDUIBGC-UHFFFAOYSA-N
XLogP4.18
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene?
The IUPAC name of 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene (CID 134439630) is 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene.
What is the SMILES notation for 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene?
The canonical SMILES for 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene is Cc1cccc(-c2nn3c(c2-c2ccc4ncnn4c2)C2CCC3CC2)n1.
What is the InChIKey of 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene?
The InChIKey is CKUFSCILDUIBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-13-3-2-4-17(24-13)20-19(15-7-10-18-22-12-23-26(18)11-15)21-14-5-8-16(9-6-14)27(21)25-20/h2-4,7,10-12,14,16H,5-6,8-9H2,1H3.
What are the key properties of 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene?
4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene has a molecular weight of 356.43 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-diene is sourced from PubChem (CID 134439630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).