4-ethyltriazol-1-amine

C4H8N4 — CID 18689000

IUPAC4-ethyltriazol-1-amine
SMILESCCc1cn(N)nn1
InChIInChI=1S/C4H8N4/c1-2-4-3-8(5)7-6-4/h3H,2,5H2,1H3
InChIKeySMTGVJNPFRLURH-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.45
Rot. Bonds1

About 4-ethyltriazol-1-amine

4-ethyltriazol-1-amine (PubChem CID 18689000) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 4-ethyltriazol-1-amine.

Molecular Properties

Compound Name4-ethyltriazol-1-amine
PubChem CID18689000
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name4-ethyltriazol-1-amine
SMILESCCc1cn(N)nn1
InChIInChI=1S/C4H8N4/c1-2-4-3-8(5)7-6-4/h3H,2,5H2,1H3
InChIKeySMTGVJNPFRLURH-UHFFFAOYSA-N
XLogP-0.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyltriazol-1-amine?
The IUPAC name of 4-ethyltriazol-1-amine (CID 18689000) is 4-ethyltriazol-1-amine.
What is the SMILES notation for 4-ethyltriazol-1-amine?
The canonical SMILES for 4-ethyltriazol-1-amine is CCc1cn(N)nn1.
What is the InChIKey of 4-ethyltriazol-1-amine?
The InChIKey is SMTGVJNPFRLURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-2-4-3-8(5)7-6-4/h3H,2,5H2,1H3.
What are the key properties of 4-ethyltriazol-1-amine?
4-ethyltriazol-1-amine has a molecular weight of 112.14 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyltriazol-1-amine is sourced from PubChem (CID 18689000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).