5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole

C10H13N3 — CID 88558971

IUPAC5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole
SMILESC=Cc1ncnn1/C=C(C)\C=C/C
InChIInChI=1S/C10H13N3/c1-4-6-9(3)7-13-10(5-2)11-8-12-13/h4-8H,2H2,1,3H3/b6-4-,9-7-
InChIKeyKDSKJHITJULTCE-PJPBHMPJSA-N
MW175.23 g/mol
LogP2.36
Rot. Bonds3

About 5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole

5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole (PubChem CID 88558971) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole
PubChem CID88558971
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole
SMILESC=Cc1ncnn1/C=C(C)\C=C/C
InChIInChI=1S/C10H13N3/c1-4-6-9(3)7-13-10(5-2)11-8-12-13/h4-8H,2H2,1,3H3/b6-4-,9-7-
InChIKeyKDSKJHITJULTCE-PJPBHMPJSA-N
XLogP2.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole?
The IUPAC name of 5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole (CID 88558971) is 5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole is C=Cc1ncnn1/C=C(C)\C=C/C.
What is the InChIKey of 5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole?
The InChIKey is KDSKJHITJULTCE-PJPBHMPJSA-N. The full InChI is InChI=1S/C10H13N3/c1-4-6-9(3)7-13-10(5-2)11-8-12-13/h4-8H,2H2,1,3H3/b6-4-,9-7-.
What are the key properties of 5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole?
5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole has a molecular weight of 175.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole is sourced from PubChem (CID 88558971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).