N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide

C10H16N4O — CID 1250680

IUPACN-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C10H16N4O/c1-7-2-4-8(5-3-7)13-10(15)9-11-6-12-14-9/h6-8H,2-5H2,1H3,(H,13,15)(H,11,12,14)
InChIKeyKGWWXUAFLBGZNB-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.11
Rot. Bonds2

About N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide

N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 1250680) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID1250680
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2ncn[nH]2)CC1
InChIInChI=1S/C10H16N4O/c1-7-2-4-8(5-3-7)13-10(15)9-11-6-12-14-9/h6-8H,2-5H2,1H3,(H,13,15)(H,11,12,14)
InChIKeyKGWWXUAFLBGZNB-UHFFFAOYSA-N
XLogP1.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide (CID 1250680) is N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide is CC1CCC(NC(=O)c2ncn[nH]2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is KGWWXUAFLBGZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-2-4-8(5-3-7)13-10(15)9-11-6-12-14-9/h6-8H,2-5H2,1H3,(H,13,15)(H,11,12,14).
What are the key properties of N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide?
N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 1250680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).