3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole

C8H11N3 — CID 118674639

IUPAC3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cc1nnc(C)n1/C=C\C
InChIInChI=1S/C8H11N3/c1-4-6-11-7(3)9-10-8(11)5-2/h4-6H,2H2,1,3H3/b6-4-
InChIKeyKGUKFPLZJONNJJ-XQRVVYSFSA-N
MW149.20 g/mol
LogP1.72
Rot. Bonds2

About 3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole

3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole (PubChem CID 118674639) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole
PubChem CID118674639
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole
SMILESC=Cc1nnc(C)n1/C=C\C
InChIInChI=1S/C8H11N3/c1-4-6-11-7(3)9-10-8(11)5-2/h4-6H,2H2,1,3H3/b6-4-
InChIKeyKGUKFPLZJONNJJ-XQRVVYSFSA-N
XLogP1.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole?
The IUPAC name of 3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole (CID 118674639) is 3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole.
What is the SMILES notation for 3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole?
The canonical SMILES for 3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole is C=Cc1nnc(C)n1/C=C\C.
What is the InChIKey of 3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole?
The InChIKey is KGUKFPLZJONNJJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H11N3/c1-4-6-11-7(3)9-10-8(11)5-2/h4-6H,2H2,1,3H3/b6-4-.
What are the key properties of 3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole?
3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1,2,4-triazole is sourced from PubChem (CID 118674639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).