5-methyl-1-(3-methylbutyl)triazol-4-amine

C8H16N4 — CID 79542788

IUPAC5-methyl-1-(3-methylbutyl)triazol-4-amine
SMILESCc1c(N)nnn1CCC(C)C
InChIInChI=1S/C8H16N4/c1-6(2)4-5-12-7(3)8(9)10-11-12/h6H,4-5,9H2,1-3H3
InChIKeyKLTDLUVSKALHTQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.21
Rot. Bonds3

About 5-methyl-1-(3-methylbutyl)triazol-4-amine

5-methyl-1-(3-methylbutyl)triazol-4-amine (PubChem CID 79542788) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-methyl-1-(3-methylbutyl)triazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-(3-methylbutyl)triazol-4-amine
PubChem CID79542788
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-methyl-1-(3-methylbutyl)triazol-4-amine
SMILESCc1c(N)nnn1CCC(C)C
InChIInChI=1S/C8H16N4/c1-6(2)4-5-12-7(3)8(9)10-11-12/h6H,4-5,9H2,1-3H3
InChIKeyKLTDLUVSKALHTQ-UHFFFAOYSA-N
XLogP1.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylbutyl)triazol-4-amine?
The IUPAC name of 5-methyl-1-(3-methylbutyl)triazol-4-amine (CID 79542788) is 5-methyl-1-(3-methylbutyl)triazol-4-amine.
What is the SMILES notation for 5-methyl-1-(3-methylbutyl)triazol-4-amine?
The canonical SMILES for 5-methyl-1-(3-methylbutyl)triazol-4-amine is Cc1c(N)nnn1CCC(C)C.
What is the InChIKey of 5-methyl-1-(3-methylbutyl)triazol-4-amine?
The InChIKey is KLTDLUVSKALHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)4-5-12-7(3)8(9)10-11-12/h6H,4-5,9H2,1-3H3.
What are the key properties of 5-methyl-1-(3-methylbutyl)triazol-4-amine?
5-methyl-1-(3-methylbutyl)triazol-4-amine has a molecular weight of 168.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylbutyl)triazol-4-amine is sourced from PubChem (CID 79542788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).