1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide

C14H21N5O2 — CID 56862096

IUPAC1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nn1cnnc1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C14H21N5O2/c20-13(17-18-9-15-16-10-18)12-7-4-8-19(12)14(21)11-5-2-1-3-6-11/h9-12H,1-8H2,(H,17,20)
InChIKeyAPVMITPXKMPALG-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.92
Rot. Bonds3

About 1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide

1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 56862096) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID56862096
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nn1cnnc1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C14H21N5O2/c20-13(17-18-9-15-16-10-18)12-7-4-8-19(12)14(21)11-5-2-1-3-6-11/h9-12H,1-8H2,(H,17,20)
InChIKeyAPVMITPXKMPALG-UHFFFAOYSA-N
XLogP0.92
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide (CID 56862096) is 1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide is O=C(Nn1cnnc1)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is APVMITPXKMPALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-13(17-18-9-15-16-10-18)12-7-4-8-19(12)14(21)11-5-2-1-3-6-11/h9-12H,1-8H2,(H,17,20).
What are the key properties of 1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide?
1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56862096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).