1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole

C6H9N3 — CID 57246645

IUPAC1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
SMILESC/C=C/c1ncn(C)n1
InChIInChI=1S/C6H9N3/c1-3-4-6-7-5-9(2)8-6/h3-5H,1-2H3/b4-3+
InChIKeyVECASHBGIQTVLF-ONEGZZNKSA-N
MW123.16 g/mol
LogP0.85
Rot. Bonds1

About 1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole

1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole (PubChem CID 57246645) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
PubChem CID57246645
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
SMILESC/C=C/c1ncn(C)n1
InChIInChI=1S/C6H9N3/c1-3-4-6-7-5-9(2)8-6/h3-5H,1-2H3/b4-3+
InChIKeyVECASHBGIQTVLF-ONEGZZNKSA-N
XLogP0.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z)-4-fluoro-N-methyl-1-(5-propan-2-yl-1,2,4-triazol-1-yl)penta-2,4-dien-1-imine
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3-Allyl-4-methyl-1,2,4-triazole
CID 129875053
1-Vinyl-1,2,4-triazole-acrylonitrile
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lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide
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1-(2-Fluoroprop-2-enyl)-5-methyl-1,2,4-triazole
CID 144028656
1-[(E)-but-2-enyl]-1,2,4-triazole
CID 12591949
3-(2,2-Dichloroethenyl)-1-methyl-1,2,4-triazole
CID 20491092
5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677
5H-pyrrolo[2,1-c][1,2,4]triazole
CID 22630679
3-Ethenyl-1-sulfanyl-1,2,4-triazole
CID 23225434
1-Methyl-3-prop-2-enyl-1,2,4-triazole
CID 53833144
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of 1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole (CID 57246645) is 1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole is C/C=C/c1ncn(C)n1.
What is the InChIKey of 1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is VECASHBGIQTVLF-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-4-6-7-5-9(2)8-6/h3-5H,1-2H3/b4-3+.
What are the key properties of 1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole?
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole has a molecular weight of 123.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 57246645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).