2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C17H24N6O2 — CID 72927882

IUPAC2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1ccnc1C1CCN(C(=O)C2CCc3nn(C)c(=O)n3C2)CC1
InChIInChI=1S/C17H24N6O2/c1-20-10-7-18-15(20)12-5-8-22(9-6-12)16(24)13-3-4-14-19-21(2)17(25)23(14)11-13/h7,10,12-13H,3-6,8-9,11H2,1-2H3
InChIKeyRKXKNXATIULMDL-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.28
Rot. Bonds2

About 2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 72927882) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID72927882
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1ccnc1C1CCN(C(=O)C2CCc3nn(C)c(=O)n3C2)CC1
InChIInChI=1S/C17H24N6O2/c1-20-10-7-18-15(20)12-5-8-22(9-6-12)16(24)13-3-4-14-19-21(2)17(25)23(14)11-13/h7,10,12-13H,3-6,8-9,11H2,1-2H3
InChIKeyRKXKNXATIULMDL-UHFFFAOYSA-N
XLogP0.28
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

(6S)-6-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 97273966
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 72932190
2-methyl-6-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 135111321
(4S)-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97153223
4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 74249533
(6S)-2-methyl-6-[4-(4-methylphenyl)-3-oxopiperazine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 96578928
2-hydroxy-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 70771246
6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 90652139
3-(1-methylimidazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 127665760
5-chloro-4,6-dimethyl-3-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70710948
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 132984539

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 72927882) is 2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1ccnc1C1CCN(C(=O)C2CCc3nn(C)c(=O)n3C2)CC1.
What is the InChIKey of 2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is RKXKNXATIULMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-20-10-7-18-15(20)12-5-8-22(9-6-12)16(24)13-3-4-14-19-21(2)17(25)23(14)11-13/h7,10,12-13H,3-6,8-9,11H2,1-2H3.
What are the key properties of 2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 344.42 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 72927882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).