N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide

C10H18N4O — CID 162398462

IUPACN-hexyl-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCCCCCCNC(=O)c1ncnn1C
InChIInChI=1S/C10H18N4O/c1-3-4-5-6-7-11-10(15)9-12-8-13-14(9)2/h8H,3-7H2,1-2H3,(H,11,15)
InChIKeyHDLPXSVZGUQOCA-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.13
Rot. Bonds6

About N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide

N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 162398462) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-methyl-1,2,4-triazole-3-carboxamide
PubChem CID162398462
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-hexyl-2-methyl-1,2,4-triazole-3-carboxamide
SMILESCCCCCCNC(=O)c1ncnn1C
InChIInChI=1S/C10H18N4O/c1-3-4-5-6-7-11-10(15)9-12-8-13-14(9)2/h8H,3-7H2,1-2H3,(H,11,15)
InChIKeyHDLPXSVZGUQOCA-UHFFFAOYSA-N
XLogP1.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide (CID 162398462) is N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide is CCCCCCNC(=O)c1ncnn1C.
What is the InChIKey of N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is HDLPXSVZGUQOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-4-5-6-7-11-10(15)9-12-8-13-14(9)2/h8H,3-7H2,1-2H3,(H,11,15).
What are the key properties of N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide?
N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 162398462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).