5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine

C5H8N4 — CID 56979604

IUPAC5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine
SMILESC/C=C/c1nc(N)n[nH]1
InChIInChI=1S/C5H8N4/c1-2-3-4-7-5(6)9-8-4/h2-3H,1H3,(H3,6,7,8,9)/b3-2+
InChIKeyYOUQTWCWTGQPPP-NSCUHMNNSA-N
MW124.15 g/mol
LogP0.42
Rot. Bonds1

About 5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine

5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine (PubChem CID 56979604) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine
PubChem CID56979604
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine
SMILESC/C=C/c1nc(N)n[nH]1
InChIInChI=1S/C5H8N4/c1-2-3-4-7-5(6)9-8-4/h2-3H,1H3,(H3,6,7,8,9)/b3-2+
InChIKeyYOUQTWCWTGQPPP-NSCUHMNNSA-N
XLogP0.42
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1,2-bis(3,4-diamino-1,2,4-triazolium-5-yl)-ethene dichloride
CID 139147273
5,5'-(E)-ethene-1,2-diylbis(4H-1,2,4-triazol-3-amine)
CID 5968446
5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 57179090
3-ethenyl-5-methyl-1H-1,2,4-triazole
CID 58904785
(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine
CID 59967520
5-prop-2-enyl-1H-1,2,4-triazol-3-amine
CID 66693144
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 87792768
5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole
CID 122674395
5-Ethenyl-3-methyl-1,2,4-triazol-1-amine
CID 123415128
5-but-2-en-2-yl-1H-1,2,4-triazol-3-amine
CID 123608994
5-but-3-en-2-yl-1H-1,2,4-triazol-3-amine
CID 123684659

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine (CID 56979604) is 5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine is C/C=C/c1nc(N)n[nH]1.
What is the InChIKey of 5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is YOUQTWCWTGQPPP-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8N4/c1-2-3-4-7-5(6)9-8-4/h2-3H,1H3,(H3,6,7,8,9)/b3-2+.
What are the key properties of 5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine?
5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 124.15 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 56979604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).