1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide

C13H20N4O — CID 163349645

IUPAC1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cn(CC2CCCC2)nn1
InChIInChI=1S/C13H20N4O/c18-13(14-7-10-5-6-10)12-9-17(16-15-12)8-11-3-1-2-4-11/h9-11H,1-8H2,(H,14,18)
InChIKeyAQDGTIIKWDLAKF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds5

About 1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide

1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide (PubChem CID 163349645) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide
PubChem CID163349645
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cn(CC2CCCC2)nn1
InChIInChI=1S/C13H20N4O/c18-13(14-7-10-5-6-10)12-9-17(16-15-12)8-11-3-1-2-4-11/h9-11H,1-8H2,(H,14,18)
InChIKeyAQDGTIIKWDLAKF-UHFFFAOYSA-N
XLogP1.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(cyclohexylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45218907
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
2-[4-(2-cyclohexylethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290825
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide
CID 118646666
1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide
CID 66004025
1-[2-(diethylamino)-2-oxoethyl]-N-[(1,1-dioxothiolan-3-yl)methyl]triazole-4-carboxamide
CID 56907798
2-[4-(oxan-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290219
methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate
CID 115034482
1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide
CID 83235479
1-(cyclohexylmethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)triazole-4-carboxamide
CID 56706408
(4-cyclohexyl-1,4-diazepan-1-yl)-[1-(cyclohexylmethyl)triazol-4-yl]methanone
CID 42240876

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide (CID 163349645) is 1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide is O=C(NCC1CC1)c1cn(CC2CCCC2)nn1.
What is the InChIKey of 1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide?
The InChIKey is AQDGTIIKWDLAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13(14-7-10-5-6-10)12-9-17(16-15-12)8-11-3-1-2-4-11/h9-11H,1-8H2,(H,14,18).
What are the key properties of 1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide?
1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 163349645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).