5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole

C9H11N3 — CID 142183457

IUPAC5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole
SMILESC=C/C=C(\C=C)Cc1ncn[nH]1
InChIInChI=1S/C9H11N3/c1-3-5-8(4-2)6-9-10-7-11-12-9/h3-5,7H,1-2,6H2,(H,10,11,12)/b8-5+
InChIKeyDCAZESPVVVCTMT-VMPITWQZSA-N
MW161.21 g/mol
LogP1.65
Rot. Bonds4

About 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole

5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole (PubChem CID 142183457) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole
PubChem CID142183457
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole
SMILESC=C/C=C(\C=C)Cc1ncn[nH]1
InChIInChI=1S/C9H11N3/c1-3-5-8(4-2)6-9-10-7-11-12-9/h3-5,7H,1-2,6H2,(H,10,11,12)/b8-5+
InChIKeyDCAZESPVVVCTMT-VMPITWQZSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.65
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

3-Allyl-1,2,4-triazole
CID 54043543
5-[3,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-1H-1,2,4-triazole
CID 162591593
5-octadec-9-enyl-1H-1,2,4-triazole
CID 53678264
5-hex-1-enyl-1H-1,2,4-triazole
CID 54111576
5-[(Z)-octadec-9-enyl]-1H-1,2,4-triazole
CID 67896261
5-cyclohexa-2,4-dien-1-yl-1H-1,2,4-triazole
CID 69763244
3-cyclohexa-2,4-dien-1-yl-5-methyl-1H-1,2,4-triazole
CID 70331206
3-cyclohexa-2,4-dien-1-yl-5-ethyl-1H-1,2,4-triazole
CID 70334651
1-(1,2,4-Triazolylmethyl)benzonitrile
CID 86744431
[2-(1H-1,2,4-triazol-5-yl)cyclohexa-2,4-dien-1-ylidene]methanone
CID 88830408
5-pent-3-enyl-1H-1,2,4-triazole
CID 90974039
5-but-3-enyl-1H-1,2,4-triazole
CID 90977684

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole (CID 142183457) is 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole is C=C/C=C(\C=C)Cc1ncn[nH]1.
What is the InChIKey of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole?
The InChIKey is DCAZESPVVVCTMT-VMPITWQZSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-5-8(4-2)6-9-10-7-11-12-9/h3-5,7H,1-2,6H2,(H,10,11,12)/b8-5+.
What are the key properties of 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole?
5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole has a molecular weight of 161.21 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-ethenylpenta-2,4-dienyl]-1H-1,2,4-triazole is sourced from PubChem (CID 142183457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).