1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine

C8H16N4 — CID 61377430

IUPAC1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCC(N)c1nnc(C)n1CC
InChIInChI=1S/C8H16N4/c1-4-7(9)8-11-10-6(3)12(8)5-2/h7H,4-5,9H2,1-3H3
InChIKeyBRRVOWJQJNDUEC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.02
Rot. Bonds3

About 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine

1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 61377430) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID61377430
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCC(N)c1nnc(C)n1CC
InChIInChI=1S/C8H16N4/c1-4-7(9)8-11-10-6(3)12(8)5-2/h7H,4-5,9H2,1-3H3
InChIKeyBRRVOWJQJNDUEC-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine (CID 61377430) is 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine is CCC(N)c1nnc(C)n1CC.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is BRRVOWJQJNDUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-7(9)8-11-10-6(3)12(8)5-2/h7H,4-5,9H2,1-3H3.
What are the key properties of 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine?
1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 61377430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).