2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine

C7H14N4 — CID 24693648

IUPAC2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(C)C(N)c1nncn1C
InChIInChI=1S/C7H14N4/c1-5(2)6(8)7-10-9-4-11(7)3/h4-6H,8H2,1-3H3
InChIKeyXPISXWQFHZCZNQ-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.47
Rot. Bonds2

About 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine

2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 24693648) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID24693648
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(C)C(N)c1nncn1C
InChIInChI=1S/C7H14N4/c1-5(2)6(8)7-10-9-4-11(7)3/h4-6H,8H2,1-3H3
InChIKeyXPISXWQFHZCZNQ-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine (CID 24693648) is 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine is CC(C)C(N)c1nncn1C.
What is the InChIKey of 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is XPISXWQFHZCZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-5(2)6(8)7-10-9-4-11(7)3/h4-6H,8H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine?
2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 154.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 24693648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).