1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide

C13H21N5O — CID 79316126

IUPAC1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCC(C)CN(C(=O)c1cn(C2CNC2)nn1)C1CC1
InChIInChI=1S/C13H21N5O/c1-9(2)7-17(10-3-4-10)13(19)12-8-18(16-15-12)11-5-14-6-11/h8-11,14H,3-7H2,1-2H3
InChIKeyKHDVZWMRBJXFFW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.68
Rot. Bonds5

About 1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide (PubChem CID 79316126) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide
PubChem CID79316126
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCC(C)CN(C(=O)c1cn(C2CNC2)nn1)C1CC1
InChIInChI=1S/C13H21N5O/c1-9(2)7-17(10-3-4-10)13(19)12-8-18(16-15-12)11-5-14-6-11/h8-11,14H,3-7H2,1-2H3
InChIKeyKHDVZWMRBJXFFW-UHFFFAOYSA-N
XLogP0.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-cyclopropylamino]acetate
CID 79319742
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
CID 79318894
1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
CID 79316211
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-propan-2-yltriazole-4-carboxamide
CID 79316371
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
2-[[1-(azetidin-3-yl)triazole-4-carbonyl]-methylamino]butanoic acid
CID 79317005
1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide
CID 79316224
1-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)-N-methyltriazole-4-carboxamide
CID 79316701
N-butyl-N-cyclopropyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283305
1-(azetidin-3-yl)-N,N-bis(2-methoxyethyl)triazole-4-carboxamide
CID 79317057
1-(azetidin-3-yl)-N-(3-hydroxypropyl)-N-methyltriazole-4-carboxamide
CID 114230177
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855761

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide (CID 79316126) is 1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide is CC(C)CN(C(=O)c1cn(C2CNC2)nn1)C1CC1.
What is the InChIKey of 1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide?
The InChIKey is KHDVZWMRBJXFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9(2)7-17(10-3-4-10)13(19)12-8-18(16-15-12)11-5-14-6-11/h8-11,14H,3-7H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 79316126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).