3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide

C11H18N4O — CID 803937

IUPAC3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncn[nH]1
InChIInChI=1S/C11H18N4O/c16-10(14-11-12-8-13-15-11)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,12,13,14,15,16)
InChIKeyUZEDCSMOVBZQDH-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.10
Rot. Bonds4

About 3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide

3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 803937) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID803937
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncn[nH]1
InChIInChI=1S/C11H18N4O/c16-10(14-11-12-8-13-15-11)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,12,13,14,15,16)
InChIKeyUZEDCSMOVBZQDH-UHFFFAOYSA-N
XLogP2.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 803937) is 3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide is O=C(CCC1CCCCC1)Nc1ncn[nH]1.
What is the InChIKey of 3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is UZEDCSMOVBZQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c16-10(14-11-12-8-13-15-11)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,12,13,14,15,16).
What are the key properties of 3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 222.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 803937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).