5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide

C18H29N5O — CID 133269292

IUPAC5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide
SMILESCCc1ccc(NC2NNNC2C(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C18H29N5O/c1-3-13-6-10-14(11-7-13)19-17-16(21-23-22-17)18(24)20-15-8-4-12(2)5-9-15/h6-7,10-12,15-17,19,21-23H,3-5,8-9H2,1-2H3,(H,20,24)
InChIKeyXFODBLISIARVIH-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.66
Rot. Bonds5

About 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide

5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide (PubChem CID 133269292) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide
PubChem CID133269292
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide
SMILESCCc1ccc(NC2NNNC2C(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C18H29N5O/c1-3-13-6-10-14(11-7-13)19-17-16(21-23-22-17)18(24)20-15-8-4-12(2)5-9-15/h6-7,10-12,15-17,19,21-23H,3-5,8-9H2,1-2H3,(H,20,24)
InChIKeyXFODBLISIARVIH-UHFFFAOYSA-N
XLogP1.66
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide?
The IUPAC name of 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide (CID 133269292) is 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide.
What is the SMILES notation for 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide?
The canonical SMILES for 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide is CCc1ccc(NC2NNNC2C(=O)NC2CCC(C)CC2)cc1.
What is the InChIKey of 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide?
The InChIKey is XFODBLISIARVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-3-13-6-10-14(11-7-13)19-17-16(21-23-22-17)18(24)20-15-8-4-12(2)5-9-15/h6-7,10-12,15-17,19,21-23H,3-5,8-9H2,1-2H3,(H,20,24).
What are the key properties of 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide?
5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.66, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylanilino)-N-(4-methylcyclohexyl)triazolidine-4-carboxamide is sourced from PubChem (CID 133269292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).