1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone

C14H13N5O — CID 69222084

IUPAC1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone
SMILESCc1cccc(C(=O)Cc2ccc3nnn(C)c3n2)n1
InChIInChI=1S/C14H13N5O/c1-9-4-3-5-11(15-9)13(20)8-10-6-7-12-14(16-10)19(2)18-17-12/h3-7H,8H2,1-2H3
InChIKeyKOPNNMGAVVVDST-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.49
Rot. Bonds3

About 1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone

1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone (PubChem CID 69222084) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone
PubChem CID69222084
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone
SMILESCc1cccc(C(=O)Cc2ccc3nnn(C)c3n2)n1
InChIInChI=1S/C14H13N5O/c1-9-4-3-5-11(15-9)13(20)8-10-6-7-12-14(16-10)19(2)18-17-12/h3-7H,8H2,1-2H3
InChIKeyKOPNNMGAVVVDST-UHFFFAOYSA-N
XLogP1.49
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone (CID 69222084) is 1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone is Cc1cccc(C(=O)Cc2ccc3nnn(C)c3n2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone?
The InChIKey is KOPNNMGAVVVDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-4-3-5-11(15-9)13(20)8-10-6-7-12-14(16-10)19(2)18-17-12/h3-7H,8H2,1-2H3.
What are the key properties of 1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone?
1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone has a molecular weight of 267.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-2-(3-methyltriazolo[4,5-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 69222084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).