4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

C13H22N4O — CID 54884851

IUPAC4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESO=C(CCCC1CCCCC1)NCc1ncn[nH]1
InChIInChI=1S/C13H22N4O/c18-13(14-9-12-15-10-16-17-12)8-4-7-11-5-2-1-3-6-11/h10-11H,1-9H2,(H,14,18)(H,15,16,17)
InChIKeyHHQNGFUFMKDDQC-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.17
Rot. Bonds6

About 4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (PubChem CID 54884851) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
PubChem CID54884851
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESO=C(CCCC1CCCCC1)NCc1ncn[nH]1
InChIInChI=1S/C13H22N4O/c18-13(14-9-12-15-10-16-17-12)8-4-7-11-5-2-1-3-6-11/h10-11H,1-9H2,(H,14,18)(H,15,16,17)
InChIKeyHHQNGFUFMKDDQC-UHFFFAOYSA-N
XLogP2.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54883297
6-oxo-6-(1H-1,2,4-triazol-5-ylmethylamino)hexanoic acid
CID 60978215
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
N-(1H-1,2,4-triazol-5-ylmethyl)azepane-2-carboxamide
CID 64563265
2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 61365653
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64531341
3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64530153
4-[(4-cyclopentylbutanoylamino)methyl]benzoic acid
CID 119165577
2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330
ethyl 4-oxo-4-(1H-1,2,4-triazol-5-ylmethylamino)butanoate
CID 60982678

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The IUPAC name of 4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (CID 54884851) is 4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.
What is the SMILES notation for 4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The canonical SMILES for 4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is O=C(CCCC1CCCCC1)NCc1ncn[nH]1.
What is the InChIKey of 4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The InChIKey is HHQNGFUFMKDDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c18-13(14-9-12-15-10-16-17-12)8-4-7-11-5-2-1-3-6-11/h10-11H,1-9H2,(H,14,18)(H,15,16,17).
What are the key properties of 4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide has a molecular weight of 250.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is sourced from PubChem (CID 54884851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).