3-(2-butylhexyl)triazol-4-amine

C12H24N4 — CID 123481616

IUPAC3-(2-butylhexyl)triazol-4-amine
SMILESCCCCC(CCCC)Cn1nncc1N
InChIInChI=1S/C12H24N4/c1-3-5-7-11(8-6-4-2)10-16-12(13)9-14-15-16/h9,11H,3-8,10,13H2,1-2H3
InChIKeyARPCSXABMAPWHT-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.86
Rot. Bonds8

About 3-(2-butylhexyl)triazol-4-amine

3-(2-butylhexyl)triazol-4-amine (PubChem CID 123481616) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-(2-butylhexyl)triazol-4-amine.

Molecular Properties

Compound Name3-(2-butylhexyl)triazol-4-amine
PubChem CID123481616
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name3-(2-butylhexyl)triazol-4-amine
SMILESCCCCC(CCCC)Cn1nncc1N
InChIInChI=1S/C12H24N4/c1-3-5-7-11(8-6-4-2)10-16-12(13)9-14-15-16/h9,11H,3-8,10,13H2,1-2H3
InChIKeyARPCSXABMAPWHT-UHFFFAOYSA-N
XLogP2.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-butylhexyl)triazol-4-amine?
The IUPAC name of 3-(2-butylhexyl)triazol-4-amine (CID 123481616) is 3-(2-butylhexyl)triazol-4-amine.
What is the SMILES notation for 3-(2-butylhexyl)triazol-4-amine?
The canonical SMILES for 3-(2-butylhexyl)triazol-4-amine is CCCCC(CCCC)Cn1nncc1N.
What is the InChIKey of 3-(2-butylhexyl)triazol-4-amine?
The InChIKey is ARPCSXABMAPWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-3-5-7-11(8-6-4-2)10-16-12(13)9-14-15-16/h9,11H,3-8,10,13H2,1-2H3.
What are the key properties of 3-(2-butylhexyl)triazol-4-amine?
3-(2-butylhexyl)triazol-4-amine has a molecular weight of 224.35 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butylhexyl)triazol-4-amine is sourced from PubChem (CID 123481616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).