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

C14H17N5O3S — CID 90592105

IUPAC[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCn1cnnc1S(=O)(=O)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C14H17N5O3S/c1-18-10-16-17-14(18)23(21,22)12-4-8-19(9-5-12)13(20)11-2-6-15-7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyRPVNXSPXRASHSA-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.29
Rot. Bonds3

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

[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 90592105) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is [4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID90592105
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCn1cnnc1S(=O)(=O)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C14H17N5O3S/c1-18-10-16-17-14(18)23(21,22)12-4-8-19(9-5-12)13(20)11-2-6-15-7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3
InChIKeyRPVNXSPXRASHSA-UHFFFAOYSA-N
XLogP0.29
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 90592105) is [4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone is Cn1cnnc1S(=O)(=O)C1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of [4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is RPVNXSPXRASHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-18-10-16-17-14(18)23(21,22)12-4-8-19(9-5-12)13(20)11-2-6-15-7-3-11/h2-3,6-7,10,12H,4-5,8-9H2,1H3.
What are the key properties of [4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 335.39 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 90592105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).