1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine

C12H24N4 — CID 106228916

IUPAC1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(CCCC(C)C)nn1
InChIInChI=1S/C12H24N4/c1-4-6-11(13)12-9-16(15-14-12)8-5-7-10(2)3/h9-11H,4-8,13H2,1-3H3
InChIKeyAYZWHGHKTSOZBJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.51
Rot. Bonds7

About 1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine

1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine (PubChem CID 106228916) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
PubChem CID106228916
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(CCCC(C)C)nn1
InChIInChI=1S/C12H24N4/c1-4-6-11(13)12-9-16(15-14-12)8-5-7-10(2)3/h9-11H,4-8,13H2,1-3H3
InChIKeyAYZWHGHKTSOZBJ-UHFFFAOYSA-N
XLogP2.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide
CID 106228612
1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine
CID 106228757
2-[4-(1-aminobutyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 106229119
5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
CID 106227649
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229143
1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 114161205
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828
1-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]butan-1-amine
CID 106229422
1-(1-pentyltriazol-4-yl)ethanol
CID 81444188
1-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229223
1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229354

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine?
The IUPAC name of 1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine (CID 106228916) is 1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine.
What is the SMILES notation for 1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine?
The canonical SMILES for 1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine is CCCC(N)c1cn(CCCC(C)C)nn1.
What is the InChIKey of 1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine?
The InChIKey is AYZWHGHKTSOZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-6-11(13)12-9-16(15-14-12)8-5-7-10(2)3/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine?
1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine is sourced from PubChem (CID 106228916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).