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

C9H14N4O — CID 557844

IUPACN-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ncn[nH]1)C1CCCCC1
InChIInChI=1S/C9H14N4O/c14-8(7-4-2-1-3-5-7)12-9-10-6-11-13-9/h6-7H,1-5H2,(H2,10,11,12,13,14)
InChIKeyOOLDLLJNBMMPOK-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.32
Rot. Bonds2

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

N-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide (PubChem CID 557844) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide
PubChem CID557844
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ncn[nH]1)C1CCCCC1
InChIInChI=1S/C9H14N4O/c14-8(7-4-2-1-3-5-7)12-9-10-6-11-13-9/h6-7H,1-5H2,(H2,10,11,12,13,14)
InChIKeyOOLDLLJNBMMPOK-UHFFFAOYSA-N
XLogP1.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide (CID 557844) is N-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide is O=C(Nc1ncn[nH]1)C1CCCCC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide?
The InChIKey is OOLDLLJNBMMPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-8(7-4-2-1-3-5-7)12-9-10-6-11-13-9/h6-7H,1-5H2,(H2,10,11,12,13,14).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide?
N-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide has a molecular weight of 194.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 557844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).