1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide

C14H21N5O — CID 79316339

IUPAC1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
SMILESO=C(NCC(C1CC1)C1CC1)c1cn(C2CNC2)nn1
InChIInChI=1S/C14H21N5O/c20-14(13-8-19(18-17-13)11-5-15-6-11)16-7-12(9-1-2-9)10-3-4-10/h8-12,15H,1-7H2,(H,16,20)
InChIKeyXOQYHEZMNIHFQQ-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.59
Rot. Bonds6

About 1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide (PubChem CID 79316339) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
PubChem CID79316339
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
SMILESO=C(NCC(C1CC1)C1CC1)c1cn(C2CNC2)nn1
InChIInChI=1S/C14H21N5O/c20-14(13-8-19(18-17-13)11-5-15-6-11)16-7-12(9-1-2-9)10-3-4-10/h8-12,15H,1-7H2,(H,16,20)
InChIKeyXOQYHEZMNIHFQQ-UHFFFAOYSA-N
XLogP0.59
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
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1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819
4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836254
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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1-(azetidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxamide
CID 79316306
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-cyclopropylsulfonyltriazole-4-carboxamide
CID 103308251
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 106096632

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide (CID 79316339) is 1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide is O=C(NCC(C1CC1)C1CC1)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide?
The InChIKey is XOQYHEZMNIHFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c20-14(13-8-19(18-17-13)11-5-15-6-11)16-7-12(9-1-2-9)10-3-4-10/h8-12,15H,1-7H2,(H,16,20).
What are the key properties of 1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide is sourced from PubChem (CID 79316339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).