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

C12H20N4O — CID 54883297

IUPAC3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCC1CCCCC1)NCc1ncn[nH]1
InChIInChI=1S/C12H20N4O/c17-12(13-8-11-14-9-15-16-11)7-6-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,17)(H,14,15,16)
InChIKeyZFMLNXAVWJPZBZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.78
Rot. Bonds5

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

3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 54883297) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID54883297
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCC1CCCCC1)NCc1ncn[nH]1
InChIInChI=1S/C12H20N4O/c17-12(13-8-11-14-9-15-16-11)7-6-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,17)(H,14,15,16)
InChIKeyZFMLNXAVWJPZBZ-UHFFFAOYSA-N
XLogP1.78
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 54884851
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
3-piperidin-3-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64530153
6-oxo-6-(1H-1,2,4-triazol-5-ylmethylamino)hexanoic acid
CID 60978215
3-piperidin-3-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64531341
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
1-cyclobutyl-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 116656324
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine
CID 60978223
ethyl 4-oxo-4-(1H-1,2,4-triazol-5-ylmethylamino)butanoate
CID 60982678

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 54883297) is 3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is O=C(CCC1CCCCC1)NCc1ncn[nH]1.
What is the InChIKey of 3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is ZFMLNXAVWJPZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12(13-8-11-14-9-15-16-11)7-6-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,17)(H,14,15,16).
What are the key properties of 3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-cyclohexyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 236.32 g/mol, XLogP of 1.78, 5 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-ylmethyl)propanamide is sourced from PubChem (CID 54883297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).