N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine

C8H16N4 — CID 62449237

IUPACN-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine
SMILESCNCCCCCn1cncn1
InChIInChI=1S/C8H16N4/c1-9-5-3-2-4-6-12-8-10-7-11-12/h7-9H,2-6H2,1H3
InChIKeyCHOVGVHPPXYGLB-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.67
Rot. Bonds6

About N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine

N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine (PubChem CID 62449237) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine
PubChem CID62449237
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine
SMILESCNCCCCCn1cncn1
InChIInChI=1S/C8H16N4/c1-9-5-3-2-4-6-12-8-10-7-11-12/h7-9H,2-6H2,1H3
InChIKeyCHOVGVHPPXYGLB-UHFFFAOYSA-N
XLogP0.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.67
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

10-(1,2,4-triazol-1-yl)decan-1-amine
CID 19742667
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 50987387
1-(4,4-dimethylpentyl)-1,2,4-triazole
CID 59119249
1-(3-methylsulfanylpropyl)-1,2,4-triazole
CID 115651022
N-[4-(1,2,4-triazol-1-yl)butan-2-yl]hexan-1-amine
CID 115705346
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
methyl 6-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoate
CID 43423421
(2S)-2-(methylamino)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 165344245
benzene-1,3,5-tricarboxylic acid;1-[10-(1,2,4-triazol-1-yl)decyl]-1,2,4-triazole;dihydrate
CID 139080095
1-(3-ethylsulfonylpropyl)-1,2,4-triazole
CID 65097350
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine?
The IUPAC name of N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine (CID 62449237) is N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine?
The canonical SMILES for N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine is CNCCCCCn1cncn1.
What is the InChIKey of N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine?
The InChIKey is CHOVGVHPPXYGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-9-5-3-2-4-6-12-8-10-7-11-12/h7-9H,2-6H2,1H3.
What are the key properties of N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine?
N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1,2,4-triazol-1-yl)pentan-1-amine is sourced from PubChem (CID 62449237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).