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

C9H13N3 — CID 145001439

IUPAC4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole
SMILESC=Cc1nnc(C)n1/C=C\CC
InChIInChI=1S/C9H13N3/c1-4-6-7-12-8(3)10-11-9(12)5-2/h5-7H,2,4H2,1,3H3/b7-6-
InChIKeyTXASNAIIGYZVMJ-SREVYHEPSA-N
MW163.22 g/mol
LogP2.11
Rot. Bonds3

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

4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole (PubChem CID 145001439) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole
PubChem CID145001439
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole
SMILESC=Cc1nnc(C)n1/C=C\CC
InChIInChI=1S/C9H13N3/c1-4-6-7-12-8(3)10-11-9(12)5-2/h5-7H,2,4H2,1,3H3/b7-6-
InChIKeyTXASNAIIGYZVMJ-SREVYHEPSA-N
XLogP2.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-2-bromoethenyl]-3-ethenyl-5-(trifluoromethyl)-1,2,4-triazole;ethane
CID 144130348
3-(difluoromethyl)-5-[(3Z)-penta-1,3-dien-3-yl]-4-[(E)-prop-1-enyl]-1,2,4-triazole
CID 148105416
3-methyl-7H-pyrrolo[2,1-c][1,2,4]triazole
CID 20722811
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
3-Methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59299764
3-Methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 59451901
3,4-Bis(prop-2-enyl)-1,2,4-triazole
CID 67685086
3,4,5-Tris(prop-2-enyl)-1,2,4-triazole
CID 67831923
1,3,4,5-Tetrakis(prop-2-enyl)-1,2,4-triazol-4-ium iodide
CID 67831971
4-But-1-enyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
CID 69991490
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89033284

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole?
The IUPAC name of 4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole (CID 145001439) is 4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole is C=Cc1nnc(C)n1/C=C\CC.
What is the InChIKey of 4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole?
The InChIKey is TXASNAIIGYZVMJ-SREVYHEPSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-6-7-12-8(3)10-11-9(12)5-2/h5-7H,2,4H2,1,3H3/b7-6-.
What are the key properties of 4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole?
4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole has a molecular weight of 163.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-3-ethenyl-5-methyl-1,2,4-triazole is sourced from PubChem (CID 145001439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).