3-(1,2,4-triazol-1-yl)prop-2-en-1-amine

C5H8N4 — CID 70453971

IUPAC3-(1,2,4-triazol-1-yl)prop-2-en-1-amine
SMILESNCC=Cn1cncn1
InChIInChI=1S/C5H8N4/c6-2-1-3-9-5-7-4-8-9/h1,3-5H,2,6H2
InChIKeyRWTKMYKGOKELOF-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.29
Rot. Bonds2

About 3-(1,2,4-triazol-1-yl)prop-2-en-1-amine

3-(1,2,4-triazol-1-yl)prop-2-en-1-amine (PubChem CID 70453971) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)prop-2-en-1-amine
PubChem CID70453971
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name3-(1,2,4-triazol-1-yl)prop-2-en-1-amine
SMILESNCC=Cn1cncn1
InChIInChI=1S/C5H8N4/c6-2-1-3-9-5-7-4-8-9/h1,3-5H,2,6H2
InChIKeyRWTKMYKGOKELOF-UHFFFAOYSA-N
XLogP-0.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)prop-2-en-1-amine?
The IUPAC name of 3-(1,2,4-triazol-1-yl)prop-2-en-1-amine (CID 70453971) is 3-(1,2,4-triazol-1-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)prop-2-en-1-amine is NCC=Cn1cncn1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)prop-2-en-1-amine?
The InChIKey is RWTKMYKGOKELOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c6-2-1-3-9-5-7-4-8-9/h1,3-5H,2,6H2.
What are the key properties of 3-(1,2,4-triazol-1-yl)prop-2-en-1-amine?
3-(1,2,4-triazol-1-yl)prop-2-en-1-amine has a molecular weight of 124.15 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)prop-2-en-1-amine is sourced from PubChem (CID 70453971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).