1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide

C11H16N6O — CID 79316224

IUPAC1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide
SMILESCC(CC#N)N(C)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H16N6O/c1-8(3-4-12)16(2)11(18)10-7-17(15-14-10)9-5-13-6-9/h7-9,13H,3,5-6H2,1-2H3
InChIKeyIMBUIJHWRDJAFZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.20
Rot. Bonds4

About 1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide

1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide (PubChem CID 79316224) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide
PubChem CID79316224
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide
SMILESCC(CC#N)N(C)C(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H16N6O/c1-8(3-4-12)16(2)11(18)10-7-17(15-14-10)9-5-13-6-9/h7-9,13H,3,5-6H2,1-2H3
InChIKeyIMBUIJHWRDJAFZ-UHFFFAOYSA-N
XLogP-0.20
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-methylamino]butanoic acid
CID 79317005
N-butan-2-yl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119737731
1-(azetidin-3-yl)-N-(cyanomethyl)-N-prop-2-ynyltriazole-4-carboxamide
CID 114208752
1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide
CID 79316126
N-(4-ethylsulfanylbutan-2-yl)-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119817468
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide
CID 79316371
1-[1-(azetidin-3-yl)triazol-4-yl]-3-ethylpentan-1-one
CID 116590705
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-propylamino]acetic acid
CID 79316931
1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
CID 79316138
1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide
CID 79316701
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide (CID 79316224) is 1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide is CC(CC#N)N(C)C(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide?
The InChIKey is IMBUIJHWRDJAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-8(3-4-12)16(2)11(18)10-7-17(15-14-10)9-5-13-6-9/h7-9,13H,3,5-6H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide?
1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 79316224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).