1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole

C7H7ClN4 — CID 143038655

IUPAC1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole
SMILESC=C(Cl)/C=C\C(=C)n1cnnn1
InChIInChI=1S/C7H7ClN4/c1-6(8)3-4-7(2)12-5-9-10-11-12/h3-5H,1-2H2/b4-3-
InChIKeyZGLAAJQCJINSGP-ARJAWSKDSA-N
MW182.61 g/mol
LogP1.45
Rot. Bonds3

About 1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole

1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole (PubChem CID 143038655) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole.

Molecular Properties

Compound Name1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole
PubChem CID143038655
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole
SMILESC=C(Cl)/C=C\C(=C)n1cnnn1
InChIInChI=1S/C7H7ClN4/c1-6(8)3-4-7(2)12-5-9-10-11-12/h3-5H,1-2H2/b4-3-
InChIKeyZGLAAJQCJINSGP-ARJAWSKDSA-N
XLogP1.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-But-2-en-2-yltetrazole
CID 123381709
1-Buta-1,3-dien-2-yltetrazole
CID 135300148
1-[(E)-but-2-en-2-yl]tetrazole;ethane
CID 144852919
1-[(2E,4Z)-5-chlorohexa-2,4-dien-2-yl]tetrazole
CID 156192106
1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]tetrazole
CID 156467378
1-[(E)-but-2-en-2-yl]tetrazole
CID 144852920

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole?
The IUPAC name of 1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole (CID 143038655) is 1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole.
What is the SMILES notation for 1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole?
The canonical SMILES for 1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole is C=C(Cl)/C=C\C(=C)n1cnnn1.
What is the InChIKey of 1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole?
The InChIKey is ZGLAAJQCJINSGP-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-6(8)3-4-7(2)12-5-9-10-11-12/h3-5H,1-2H2/b4-3-.
What are the key properties of 1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole?
1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole has a molecular weight of 182.61 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-chlorohexa-1,3,5-trien-2-yl]tetrazole is sourced from PubChem (CID 143038655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).