3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole

C10H15N3 — CID 123155201

IUPAC3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole
SMILESC=CC(=CC)CCc1n[nH]c(C)n1
InChIInChI=1S/C10H15N3/c1-4-9(5-2)6-7-10-11-8(3)12-13-10/h4-5H,1,6-7H2,2-3H3,(H,11,12,13)
InChIKeyVEONYNVEXSAUNS-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.18
Rot. Bonds4

About 3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole

3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole (PubChem CID 123155201) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole
PubChem CID123155201
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole
SMILESC=CC(=CC)CCc1n[nH]c(C)n1
InChIInChI=1S/C10H15N3/c1-4-9(5-2)6-7-10-11-8(3)12-13-10/h4-5H,1,6-7H2,2-3H3,(H,11,12,13)
InChIKeyVEONYNVEXSAUNS-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(Heptadec-8-enyl)-1h-1,2,4-triazol-3-amine
CID 72739062
potassium 5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole
CID 58163045
5-(Heptadec-8,11-dienyl)-1h-1,2,4-triazol-3-amine
CID 168268284
5-(cyclopenta-1,3-dien-1-ylmethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 100978616
5-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-1,2,4-triazol-3-amine
CID 162543317
5-(cyclohex-1-en-1-ylmethyl)-3-cyclopropyl-1H-1,2,4-triazole
CID 50949396
5-[(E)-heptadec-8-enyl]-1H-1,2,4-triazol-3-amine
CID 14767756
5-[(Z)-heptadec-8-enyl]-1H-1,2,4-triazol-3-amine
CID 14767757
3-cyclohexa-1,5-dien-1-yl-5-propan-2-yl-1H-1,2,4-triazole
CID 17946487
5-[(Z)-octadec-9-enyl]-1H-1,2,4-triazol-3-amine
CID 44603845
5-octadec-9-enyl-1H-1,2,4-triazol-3-amine
CID 54464947
4-(3-pentyl-1H-1,2,4-triazol-5-yl)but-2-enenitrile
CID 67753984

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole (CID 123155201) is 3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole is C=CC(=CC)CCc1n[nH]c(C)n1.
What is the InChIKey of 3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole?
The InChIKey is VEONYNVEXSAUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-9(5-2)6-7-10-11-8(3)12-13-10/h4-5H,1,6-7H2,2-3H3,(H,11,12,13).
What are the key properties of 3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole?
3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole has a molecular weight of 177.25 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenylpent-3-enyl)-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 123155201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).