4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one

C13H16N6O — CID 139019667

IUPAC4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one
SMILESCc1ccc(-n2cc(CN3CCNC(=O)C3)nn2)nc1
InChIInChI=1S/C13H16N6O/c1-10-2-3-12(15-6-10)19-8-11(16-17-19)7-18-5-4-14-13(20)9-18/h2-3,6,8H,4-5,7,9H2,1H3,(H,14,20)
InChIKeyKQRSTGRSNFQNOJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP-0.10
Rot. Bonds3

About 4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one

4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one (PubChem CID 139019667) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one
PubChem CID139019667
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one
SMILESCc1ccc(-n2cc(CN3CCNC(=O)C3)nn2)nc1
InChIInChI=1S/C13H16N6O/c1-10-2-3-12(15-6-10)19-8-11(16-17-19)7-18-5-4-14-13(20)9-18/h2-3,6,8H,4-5,7,9H2,1H3,(H,14,20)
InChIKeyKQRSTGRSNFQNOJ-UHFFFAOYSA-N
XLogP-0.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-tert-butyl-2-pyridinyl)methyl]piperazin-2-one
CID 118632989
4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one
CID 163357658
4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one
CID 103054010
5-[(3-oxopiperazin-1-yl)methyl]pyridine-2-carboxamide
CID 68593798
4-[(5-hydrazinylpyrazin-2-yl)methyl]piperazin-2-one
CID 103060800
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-2-one
CID 22107793
4-[(6-amino-2-pyridinyl)methyl]piperazin-2-one
CID 79243693
4-[[1-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]triazol-4-yl]methyl]piperazin-2-one
CID 139019658
4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
CID 8548455
4-[[1-[[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
CID 45246542
4-(1H-pyrrol-3-ylmethyl)piperazin-2-one
CID 126997870
1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol
CID 139019651

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one (CID 139019667) is 4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one is Cc1ccc(-n2cc(CN3CCNC(=O)C3)nn2)nc1.
What is the InChIKey of 4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one?
The InChIKey is KQRSTGRSNFQNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-10-2-3-12(15-6-10)19-8-11(16-17-19)7-18-5-4-14-13(20)9-18/h2-3,6,8H,4-5,7,9H2,1H3,(H,14,20).
What are the key properties of 4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one?
4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one has a molecular weight of 272.31 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 139019667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).