[3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone

C16H18N6O — CID 131684911

IUPAC[3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCCc1ccc2c(C3CN(C(=O)c4ncn(C)n4)C3)ncn2c1
InChIInChI=1S/C16H18N6O/c1-3-11-4-5-13-14(17-10-22(13)6-11)12-7-21(8-12)16(23)15-18-9-20(2)19-15/h4-6,9-10,12H,3,7-8H2,1-2H3
InChIKeyQRJJHELHXOEPNX-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.26
Rot. Bonds3

About [3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone

[3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 131684911) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is [3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID131684911
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name[3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone
SMILESCCc1ccc2c(C3CN(C(=O)c4ncn(C)n4)C3)ncn2c1
InChIInChI=1S/C16H18N6O/c1-3-11-4-5-13-14(17-10-22(13)6-11)12-7-21(8-12)16(23)15-18-9-20(2)19-15/h4-6,9-10,12H,3,7-8H2,1-2H3
InChIKeyQRJJHELHXOEPNX-UHFFFAOYSA-N
XLogP1.26
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 104920830
5-(cyclopropylmethyl)-2-(1-methyl-1,2,4-triazole-3-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131683122
(1-methyl-1,2,4-triazol-3-yl)-(1,2-oxazolidin-2-yl)methanone
CID 131084165
(1-methyl-1,2,4-triazol-3-yl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131686812
2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131688867
N,N,1-trimethyl-1,2,4-triazole-3-carboxamide
CID 59693974
1-methyl-1,2,4-triazole-3-carboxylate
CID 52987606
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153
(3-ethyl-1-methylpyrazol-4-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103894434
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128997376
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129341721
2,2-dimethylpropanamide;6-ethylimidazo[1,2-a]pyridine
CID 157046695

Frequently Asked Questions

What is the IUPAC name of [3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone (CID 131684911) is [3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is CCc1ccc2c(C3CN(C(=O)c4ncn(C)n4)C3)ncn2c1.
What is the InChIKey of [3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is QRJJHELHXOEPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-11-4-5-13-14(17-10-22(13)6-11)12-7-21(8-12)16(23)15-18-9-20(2)19-15/h4-6,9-10,12H,3,7-8H2,1-2H3.
What are the key properties of [3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone?
[3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 310.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-ethylimidazo[1,5-a]pyridin-1-yl)azetidin-1-yl]-(1-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 131684911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).