3-methyl-5-(2-methylpropyl)triazol-4-amine

C7H14N4 — CID 83635419

IUPAC3-methyl-5-(2-methylpropyl)triazol-4-amine
SMILESCC(C)Cc1nnn(C)c1N
InChIInChI=1S/C7H14N4/c1-5(2)4-6-7(8)11(3)10-9-6/h5H,4,8H2,1-3H3
InChIKeyBREYVXLFMGEIFX-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.60
Rot. Bonds2

About 3-methyl-5-(2-methylpropyl)triazol-4-amine

3-methyl-5-(2-methylpropyl)triazol-4-amine (PubChem CID 83635419) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpropyl)triazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(2-methylpropyl)triazol-4-amine
PubChem CID83635419
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name3-methyl-5-(2-methylpropyl)triazol-4-amine
SMILESCC(C)Cc1nnn(C)c1N
InChIInChI=1S/C7H14N4/c1-5(2)4-6-7(8)11(3)10-9-6/h5H,4,8H2,1-3H3
InChIKeyBREYVXLFMGEIFX-UHFFFAOYSA-N
XLogP0.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpropyl)triazol-4-amine?
The IUPAC name of 3-methyl-5-(2-methylpropyl)triazol-4-amine (CID 83635419) is 3-methyl-5-(2-methylpropyl)triazol-4-amine.
What is the SMILES notation for 3-methyl-5-(2-methylpropyl)triazol-4-amine?
The canonical SMILES for 3-methyl-5-(2-methylpropyl)triazol-4-amine is CC(C)Cc1nnn(C)c1N.
What is the InChIKey of 3-methyl-5-(2-methylpropyl)triazol-4-amine?
The InChIKey is BREYVXLFMGEIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-5(2)4-6-7(8)11(3)10-9-6/h5H,4,8H2,1-3H3.
What are the key properties of 3-methyl-5-(2-methylpropyl)triazol-4-amine?
3-methyl-5-(2-methylpropyl)triazol-4-amine has a molecular weight of 154.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylpropyl)triazol-4-amine is sourced from PubChem (CID 83635419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).