1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide

C14H21N5O2 — CID 47054847

IUPAC1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C14H21N5O2/c20-12(17-14-15-9-16-18-14)11-7-4-8-19(11)13(21)10-5-2-1-3-6-10/h9-11H,1-8H2,(H2,15,16,17,18,20)
InChIKeyJKJRZPNQGPURLU-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.31
Rot. Bonds3

About 1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide

1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 47054847) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID47054847
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ncn[nH]1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C14H21N5O2/c20-12(17-14-15-9-16-18-14)11-7-4-8-19(11)13(21)10-5-2-1-3-6-10/h9-11H,1-8H2,(H2,15,16,17,18,20)
InChIKeyJKJRZPNQGPURLU-UHFFFAOYSA-N
XLogP1.31
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide (CID 47054847) is 1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1ncn[nH]1)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is JKJRZPNQGPURLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-12(17-14-15-9-16-18-14)11-7-4-8-19(11)13(21)10-5-2-1-3-6-10/h9-11H,1-8H2,(H2,15,16,17,18,20).
What are the key properties of 1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide?
1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47054847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).