3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine

C12H24N4 — CID 71383717

IUPAC3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine
SMILESCC(C)CCc1nnc(CCC(C)C)n1N
InChIInChI=1S/C12H24N4/c1-9(2)5-7-11-14-15-12(16(11)13)8-6-10(3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyOIWXAJRJGJGXTH-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.17
Rot. Bonds6

About 3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine

3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine (PubChem CID 71383717) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine
PubChem CID71383717
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine
SMILESCC(C)CCc1nnc(CCC(C)C)n1N
InChIInChI=1S/C12H24N4/c1-9(2)5-7-11-14-15-12(16(11)13)8-6-10(3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyOIWXAJRJGJGXTH-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine (CID 71383717) is 3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine is CC(C)CCc1nnc(CCC(C)C)n1N.
What is the InChIKey of 3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine?
The InChIKey is OIWXAJRJGJGXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-9(2)5-7-11-14-15-12(16(11)13)8-6-10(3)4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of 3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine?
3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine has a molecular weight of 224.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-methylbutyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 71383717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).