5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine

C11H22N4 — CID 62711428

IUPAC5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
SMILESCC(C)Cn1cnnc1CCCCCN
InChIInChI=1S/C11H22N4/c1-10(2)8-15-9-13-14-11(15)6-4-3-5-7-12/h9-10H,3-8,12H2,1-2H3
InChIKeyUJPVFCARAANEMU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.61
Rot. Bonds7

About 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine

5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine (PubChem CID 62711428) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
PubChem CID62711428
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
SMILESCC(C)Cn1cnnc1CCCCCN
InChIInChI=1S/C11H22N4/c1-10(2)8-15-9-13-14-11(15)6-4-3-5-7-12/h9-10H,3-8,12H2,1-2H3
InChIKeyUJPVFCARAANEMU-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.61
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

5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 82849099
2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 62709369
2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]ethanamine
CID 79463763
3-(chloromethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 22938731
3-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 115395643
3-[(2,6-difluorophenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 113301450
1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine
CID 62709894
3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 64610440
3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine
CID 83875884
4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 82014118
4-methyl-3-(5-methylhexyl)-1,2,4-triazole
CID 121323792
3-(3-propan-2-yl-1,2,4-triazol-4-yl)propan-1-amine
CID 82512111

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine?
The IUPAC name of 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine (CID 62711428) is 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine is CC(C)Cn1cnnc1CCCCCN.
What is the InChIKey of 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine?
The InChIKey is UJPVFCARAANEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-10(2)8-15-9-13-14-11(15)6-4-3-5-7-12/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine?
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-1-amine is sourced from PubChem (CID 62711428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).