5-ethyl-1-propyltriazol-4-amine

C7H14N4 — CID 79542542

IUPAC5-ethyl-1-propyltriazol-4-amine
SMILESCCCn1nnc(N)c1CC
InChIInChI=1S/C7H14N4/c1-3-5-11-6(4-2)7(8)9-10-11/h3-5,8H2,1-2H3
InChIKeyHSQCACXDAOVISW-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.83
Rot. Bonds3

About 5-ethyl-1-propyltriazol-4-amine

5-ethyl-1-propyltriazol-4-amine (PubChem CID 79542542) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-ethyl-1-propyltriazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-propyltriazol-4-amine
PubChem CID79542542
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-ethyl-1-propyltriazol-4-amine
SMILESCCCn1nnc(N)c1CC
InChIInChI=1S/C7H14N4/c1-3-5-11-6(4-2)7(8)9-10-11/h3-5,8H2,1-2H3
InChIKeyHSQCACXDAOVISW-UHFFFAOYSA-N
XLogP0.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-propyltriazol-4-amine?
The IUPAC name of 5-ethyl-1-propyltriazol-4-amine (CID 79542542) is 5-ethyl-1-propyltriazol-4-amine.
What is the SMILES notation for 5-ethyl-1-propyltriazol-4-amine?
The canonical SMILES for 5-ethyl-1-propyltriazol-4-amine is CCCn1nnc(N)c1CC.
What is the InChIKey of 5-ethyl-1-propyltriazol-4-amine?
The InChIKey is HSQCACXDAOVISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-5-11-6(4-2)7(8)9-10-11/h3-5,8H2,1-2H3.
What are the key properties of 5-ethyl-1-propyltriazol-4-amine?
5-ethyl-1-propyltriazol-4-amine has a molecular weight of 154.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-propyltriazol-4-amine is sourced from PubChem (CID 79542542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).