piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

C12H14N4O — CID 97211491

IUPACpiperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2nncn2c1)N1CCCCC1
InChIInChI=1S/C12H14N4O/c17-12(15-6-2-1-3-7-15)10-4-5-11-14-13-9-16(11)8-10/h4-5,8-9H,1-3,6-7H2
InChIKeyKBLBVBCCSZJACB-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.36
Rot. Bonds1

About piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (PubChem CID 97211491) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
PubChem CID97211491
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Namepiperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESO=C(c1ccc2nncn2c1)N1CCCCC1
InChIInChI=1S/C12H14N4O/c17-12(15-6-2-1-3-7-15)10-4-5-11-14-13-9-16(11)8-10/h4-5,8-9H,1-3,6-7H2
InChIKeyKBLBVBCCSZJACB-UHFFFAOYSA-N
XLogP1.36
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182410
azepan-1-yl(imidazo[1,2-a]pyridin-6-yl)methanone
CID 110704027
(2,2-dimethylthiomorpholin-4-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 71923473
(2-methylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone
CID 110704149
3-[1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137182026
(2R)-1-([1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 124661275
(4-amino-3,3-dimethylpiperidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 120816284
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[(3S,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 96513290
[2-[hydroxy(phenyl)methyl]piperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 154867298
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 136587994

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The IUPAC name of piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (CID 97211491) is piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.
What is the SMILES notation for piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The canonical SMILES for piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is O=C(c1ccc2nncn2c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The InChIKey is KBLBVBCCSZJACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12(15-6-2-1-3-7-15)10-4-5-11-14-13-9-16(11)8-10/h4-5,8-9H,1-3,6-7H2.
What are the key properties of piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone has a molecular weight of 230.27 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is sourced from PubChem (CID 97211491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).