[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone

C14H17N5O — CID 53499111

IUPAC[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCn1cnnc1C1CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C14H17N5O/c1-18-10-16-17-13(18)11-5-4-8-19(9-11)14(20)12-6-2-3-7-15-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyDTAYTIQTQPJEQH-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.23
Rot. Bonds2

About [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone

[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 53499111) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID53499111
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCn1cnnc1C1CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C14H17N5O/c1-18-10-16-17-13(18)11-5-4-8-19(9-11)14(20)12-6-2-3-7-15-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKeyDTAYTIQTQPJEQH-UHFFFAOYSA-N
XLogP1.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 53499111) is [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone is Cn1cnnc1C1CCCN(C(=O)c2ccccn2)C1.
What is the InChIKey of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is DTAYTIQTQPJEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18-10-16-17-13(18)11-5-4-8-19(9-11)14(20)12-6-2-3-7-15-12/h2-3,6-7,10-11H,4-5,8-9H2,1H3.
What are the key properties of [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 271.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 53499111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).