2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one

C9H14N4O2 — CID 136849732

IUPAC2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one
SMILESCn1nc(C(=O)N2CCCCC2)[nH]c1=O
InChIInChI=1S/C9H14N4O2/c1-12-9(15)10-7(11-12)8(14)13-5-3-2-4-6-13/h2-6H2,1H3,(H,10,11,15)
InChIKeyKKZCDGVXKCPSGO-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.27
Rot. Bonds1

About 2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one

2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one (PubChem CID 136849732) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one
PubChem CID136849732
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one
SMILESCn1nc(C(=O)N2CCCCC2)[nH]c1=O
InChIInChI=1S/C9H14N4O2/c1-12-9(15)10-7(11-12)8(14)13-5-3-2-4-6-13/h2-6H2,1H3,(H,10,11,15)
InChIKeyKKZCDGVXKCPSGO-UHFFFAOYSA-N
XLogP-0.27
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Piperidin-1-yl-2H-[1,2,4]triazine-3,5-dione
CID 3116143
5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide
CID 152709792
6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 23945585
2,4-Dimethyl-6-(pentylamino)-1,2,4-triazine-3,5-dione
CID 43410449
2,4-Dimethyl-6-(2-piperidin-1-ylethylamino)-1,2,4-triazine-3,5-dione
CID 61521672
2-(3-Oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 62937693
N-butyl-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 66272347
2-(7-ethyl-3,8-dioxo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)-N-propylacetamide
CID 75528608
6-(5-Aminopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 107323641
2,4-Dimethyl-6-[(2-oxo-2-piperidin-1-ylethyl)amino]-1,2,4-triazine-3,5-dione
CID 115586037
N-[1-[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]acetamide
CID 132310199
3-(Piperidine-1-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136831986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one (CID 136849732) is 2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one is Cn1nc(C(=O)N2CCCCC2)[nH]c1=O.
What is the InChIKey of 2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one?
The InChIKey is KKZCDGVXKCPSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12-9(15)10-7(11-12)8(14)13-5-3-2-4-6-13/h2-6H2,1H3,(H,10,11,15).
What are the key properties of 2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one?
2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one has a molecular weight of 210.24 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidine-1-carbonyl)-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136849732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).