4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole

C8H11N3 — CID 123675277

IUPAC4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole
SMILESC=C(C=CC)c1nncn1C
InChIInChI=1S/C8H11N3/c1-4-5-7(2)8-10-9-6-11(8)3/h4-6H,2H2,1,3H3
InChIKeyWUUOASFPCWQDPC-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.40
Rot. Bonds2

About 4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole

4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole (PubChem CID 123675277) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole
PubChem CID123675277
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole
SMILESC=C(C=CC)c1nncn1C
InChIInChI=1S/C8H11N3/c1-4-5-7(2)8-10-9-6-11(8)3/h4-6H,2H2,1,3H3
InChIKeyWUUOASFPCWQDPC-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Cyclohexa-1,5-dien-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 89912468
3-Allyl-4-methyl-1,2,4-triazole
CID 129875053
1-Methyl-3(1-methyl-1,2,5,6-tetrahydro-3-pyridyl)-1,2,4-triazole
CID 10932009
5,6,7,10-Tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline
CID 21959585
13-Methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene
CID 57209093
4-Methyl-3-phenyl-1,2,4-triazole;platinum
CID 57648505
N,N-dimethyl-3-(4-methyl-1,2,4-triazol-3-yl)benzene-4-id-1-amine;iridium
CID 57648579
Iridium;1-methyl-3-phenyl-1,2,4-triazole
CID 57703189
Chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162866
Lithium 1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162940
Iridium;4-methyl-3-phenyl-1,2,4-triazole
CID 59661348
CID 59806670
CID 59806670

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole?
The IUPAC name of 4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole (CID 123675277) is 4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole is C=C(C=CC)c1nncn1C.
What is the InChIKey of 4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole?
The InChIKey is WUUOASFPCWQDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-4-5-7(2)8-10-9-6-11(8)3/h4-6H,2H2,1,3H3.
What are the key properties of 4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole?
4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-penta-1,3-dien-2-yl-1,2,4-triazole is sourced from PubChem (CID 123675277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).