5-ethyl-1-methyltriazol-4-amine

C5H10N4 — CID 79536308

IUPAC5-ethyl-1-methyltriazol-4-amine
SMILESCCc1c(N)nnn1C
InChIInChI=1S/C5H10N4/c1-3-4-5(6)7-8-9(4)2/h3,6H2,1-2H3
InChIKeyZVQZQWIJXSYHKG-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.04
Rot. Bonds1

About 5-ethyl-1-methyltriazol-4-amine

5-ethyl-1-methyltriazol-4-amine (PubChem CID 79536308) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-ethyl-1-methyltriazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-methyltriazol-4-amine
PubChem CID79536308
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name5-ethyl-1-methyltriazol-4-amine
SMILESCCc1c(N)nnn1C
InChIInChI=1S/C5H10N4/c1-3-4-5(6)7-8-9(4)2/h3,6H2,1-2H3
InChIKeyZVQZQWIJXSYHKG-UHFFFAOYSA-N
XLogP-0.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyltriazol-4-amine?
The IUPAC name of 5-ethyl-1-methyltriazol-4-amine (CID 79536308) is 5-ethyl-1-methyltriazol-4-amine.
What is the SMILES notation for 5-ethyl-1-methyltriazol-4-amine?
The canonical SMILES for 5-ethyl-1-methyltriazol-4-amine is CCc1c(N)nnn1C.
What is the InChIKey of 5-ethyl-1-methyltriazol-4-amine?
The InChIKey is ZVQZQWIJXSYHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-3-4-5(6)7-8-9(4)2/h3,6H2,1-2H3.
What are the key properties of 5-ethyl-1-methyltriazol-4-amine?
5-ethyl-1-methyltriazol-4-amine has a molecular weight of 126.16 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyltriazol-4-amine is sourced from PubChem (CID 79536308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).