1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide

C15H22N4O — CID 42194943

IUPAC1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C15H22N4O/c1-3-10-18(11-4-2)15(20)14-12-19(17-16-14)13-8-6-5-7-9-13/h3-4,12-13H,1-2,5-11H2
InChIKeyLJMLYRGIQDJHHC-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.60
Rot. Bonds6

About 1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide

1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide (PubChem CID 42194943) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide
PubChem CID42194943
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C15H22N4O/c1-3-10-18(11-4-2)15(20)14-12-19(17-16-14)13-8-6-5-7-9-13/h3-4,12-13H,1-2,5-11H2
InChIKeyLJMLYRGIQDJHHC-UHFFFAOYSA-N
XLogP2.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-1-piperidin-4-yl-N-prop-2-enyltriazole-4-carboxamide
CID 119752331
1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 119689941
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763852
N-cyclohexyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63282846
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
1-[1-(2-cyclopentylacetyl)piperidin-4-yl]-N,N-diethyltriazole-4-carboxamide
CID 26326855
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
N,N-bis(3-methylbutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672595
3-[2-[(1-cyclohexyltriazole-4-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 167809282

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide (CID 42194943) is 1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide is C=CCN(CC=C)C(=O)c1cn(C2CCCCC2)nn1.
What is the InChIKey of 1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide?
The InChIKey is LJMLYRGIQDJHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-10-18(11-4-2)15(20)14-12-19(17-16-14)13-8-6-5-7-9-13/h3-4,12-13H,1-2,5-11H2.
What are the key properties of 1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide?
1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide is sourced from PubChem (CID 42194943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).