(3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone

C9H14N4O — CID 130825736

IUPAC(3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCc1nc(C(=O)N2CC(C)(C)C2)n[nH]1
InChIInChI=1S/C9H14N4O/c1-6-10-7(12-11-6)8(14)13-4-9(2,3)5-13/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyHYFNMXHDHONWDT-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.60
Rot. Bonds1

About (3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone

(3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 130825736) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID130825736
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
SMILESCc1nc(C(=O)N2CC(C)(C)C2)n[nH]1
InChIInChI=1S/C9H14N4O/c1-6-10-7(12-11-6)8(14)13-4-9(2,3)5-13/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyHYFNMXHDHONWDT-UHFFFAOYSA-N
XLogP0.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 114082419
(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 145336249
(5-methyl-1H-1,2,4-triazol-3-yl)-(1,3-oxazinan-3-yl)methanone
CID 130522636
4-[(3aR,6aS)-2-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4-methylpyrrolidin-2-one
CID 167830350
(5-ethyl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745146
(3-methoxypiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 102963897
(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745147
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[9-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 167933331
methyl 1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate
CID 114009916
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 102679522
[(3aR,7aS)-5-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
CID 167866455
1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432808

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone (CID 130825736) is (3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone is Cc1nc(C(=O)N2CC(C)(C)C2)n[nH]1.
What is the InChIKey of (3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is HYFNMXHDHONWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-10-7(12-11-6)8(14)13-4-9(2,3)5-13/h4-5H2,1-3H3,(H,10,11,12).
What are the key properties of (3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone?
(3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 194.24 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylazetidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 130825736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).