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

C10H16N4O — CID 704227

IUPAC2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CC1CCCCC1)Nc1ncn[nH]1
InChIInChI=1S/C10H16N4O/c15-9(13-10-11-7-12-14-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,11,12,13,14,15)
InChIKeyWOQYWVDZSFPTSS-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.71
Rot. Bonds3

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

2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 704227) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID704227
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(CC1CCCCC1)Nc1ncn[nH]1
InChIInChI=1S/C10H16N4O/c15-9(13-10-11-7-12-14-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,11,12,13,14,15)
InChIKeyWOQYWVDZSFPTSS-UHFFFAOYSA-N
XLogP1.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 704227) is 2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(CC1CCCCC1)Nc1ncn[nH]1.
What is the InChIKey of 2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is WOQYWVDZSFPTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-9(13-10-11-7-12-14-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,11,12,13,14,15).
What are the key properties of 2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 208.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 704227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).