5-prop-2-enyl-1H-1,2,4-triazole

C5H7N3 — CID 54043543

IUPAC5-prop-2-enyl-1H-1,2,4-triazole
SMILESC=CCc1ncn[nH]1
InChIInChI=1S/C5H7N3/c1-2-3-5-6-4-7-8-5/h2,4H,1,3H2,(H,6,7,8)
InChIKeyCNWPGPNPRZOAMU-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.53
Rot. Bonds2

About 5-prop-2-enyl-1H-1,2,4-triazole

5-prop-2-enyl-1H-1,2,4-triazole (PubChem CID 54043543) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-prop-2-enyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-prop-2-enyl-1H-1,2,4-triazole
PubChem CID54043543
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name5-prop-2-enyl-1H-1,2,4-triazole
SMILESC=CCc1ncn[nH]1
InChIInChI=1S/C5H7N3/c1-2-3-5-6-4-7-8-5/h2,4H,1,3H2,(H,6,7,8)
InChIKeyCNWPGPNPRZOAMU-UHFFFAOYSA-N
XLogP0.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-1,2,4(1H)-triazole
CID 23891
s-Triazole, 3-propyl-
CID 519726
5-Ethenyl-1H-1,2,4-triazole
CID 19004185
5-(Propen-2-yl)-1h-1,2,4-triazole
CID 68753131
5-[(E)-3-fluoroprop-1-enyl]-1H-1,2,4-triazole
CID 88290905
5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
CID 67571187
3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-one
CID 18770369
1-Methyl-3-prop-2-enyl-1,2,4-triazole
CID 53833144
5-hex-1-enyl-1H-1,2,4-triazole
CID 54111576
5-ethenyl-1H-1,2,4-triazol-4-ium
CID 60052707
1-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine
CID 65363135
5-prop-2-enyl-1H-1,2,4-triazol-3-amine
CID 66693144

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-1H-1,2,4-triazole?
The IUPAC name of 5-prop-2-enyl-1H-1,2,4-triazole (CID 54043543) is 5-prop-2-enyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-prop-2-enyl-1H-1,2,4-triazole?
The canonical SMILES for 5-prop-2-enyl-1H-1,2,4-triazole is C=CCc1ncn[nH]1.
What is the InChIKey of 5-prop-2-enyl-1H-1,2,4-triazole?
The InChIKey is CNWPGPNPRZOAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-3-5-6-4-7-8-5/h2,4H,1,3H2,(H,6,7,8).
What are the key properties of 5-prop-2-enyl-1H-1,2,4-triazole?
5-prop-2-enyl-1H-1,2,4-triazole has a molecular weight of 109.13 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-1H-1,2,4-triazole is sourced from PubChem (CID 54043543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).