5-prop-1-en-2-yl-1H-1,2,4-triazole

C5H7N3 — CID 68753131

IUPAC5-prop-1-en-2-yl-1H-1,2,4-triazole
SMILESC=C(C)c1ncn[nH]1
InChIInChI=1S/C5H7N3/c1-4(2)5-6-3-7-8-5/h3H,1H2,2H3,(H,6,7,8)
InChIKeyWRHVIAVWGDBUOE-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.84
Rot. Bonds1

About 5-prop-1-en-2-yl-1H-1,2,4-triazole

5-prop-1-en-2-yl-1H-1,2,4-triazole (PubChem CID 68753131) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-prop-1-en-2-yl-1H-1,2,4-triazole
PubChem CID68753131
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name5-prop-1-en-2-yl-1H-1,2,4-triazole
SMILESC=C(C)c1ncn[nH]1
InChIInChI=1S/C5H7N3/c1-4(2)5-6-3-7-8-5/h3H,1H2,2H3,(H,6,7,8)
InChIKeyWRHVIAVWGDBUOE-UHFFFAOYSA-N
XLogP0.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-prop-1-en-2-yl-1H-1,2,4-triazole (CID 68753131) is 5-prop-1-en-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-prop-1-en-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-prop-1-en-2-yl-1H-1,2,4-triazole is C=C(C)c1ncn[nH]1.
What is the InChIKey of 5-prop-1-en-2-yl-1H-1,2,4-triazole?
The InChIKey is WRHVIAVWGDBUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-4(2)5-6-3-7-8-5/h3H,1H2,2H3,(H,6,7,8).
What are the key properties of 5-prop-1-en-2-yl-1H-1,2,4-triazole?
5-prop-1-en-2-yl-1H-1,2,4-triazole has a molecular weight of 109.13 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 68753131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).