5-methyl-1-[(Z)-octadec-9-enyl]tetrazole

C20H38N4 — CID 139706977

IUPAC5-methyl-1-[(Z)-octadec-9-enyl]tetrazole
SMILESCCCCCCCC/C=C\CCCCCCCCn1nnnc1C
InChIInChI=1S/C20H38N4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20(2)21-22-23-24/h10-11H,3-9,12-19H2,1-2H3/b11-10-
InChIKeySFIYXMYUJSBCQR-KHPPLWFESA-N
MW334.55 g/mol
LogP6.02
Rot. Bonds16

About 5-methyl-1-[(Z)-octadec-9-enyl]tetrazole

5-methyl-1-[(Z)-octadec-9-enyl]tetrazole (PubChem CID 139706977) has the molecular formula C20H38N4 and a molecular weight of 334.55 g/mol. Its IUPAC name is 5-methyl-1-[(Z)-octadec-9-enyl]tetrazole.

Molecular Properties

Compound Name5-methyl-1-[(Z)-octadec-9-enyl]tetrazole
PubChem CID139706977
Molecular FormulaC20H38N4
Molecular Weight334.55 g/mol
Exact Mass334.31
IUPAC Name5-methyl-1-[(Z)-octadec-9-enyl]tetrazole
SMILESCCCCCCCC/C=C\CCCCCCCCn1nnnc1C
InChIInChI=1S/C20H38N4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20(2)21-22-23-24/h10-11H,3-9,12-19H2,1-2H3/b11-10-
InChIKeySFIYXMYUJSBCQR-KHPPLWFESA-N
XLogP6.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-1-[(Z)-octadec-9-enyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-12-[1-(4-aminobutyl)tetrazol-5-yl]dodec-5-en-1-amine
CID 70854996
1-[(Z)-octadec-9-enyl]tetrazole
CID 139706978
[1-[2-(Cyclohexen-1-yl)ethyl]tetrazol-5-yl]methanamine
CID 82228300
3-[1-[2-(Cyclohexen-1-yl)ethyl]tetrazol-5-yl]propan-1-amine
CID 82228423
1-Cyclohex-2-en-1-yl-5-methyltetrazole
CID 126996082
1-Cyclohex-2-en-1-yl-5-ethyltetrazole
CID 131176209

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(Z)-octadec-9-enyl]tetrazole?
The IUPAC name of 5-methyl-1-[(Z)-octadec-9-enyl]tetrazole (CID 139706977) is 5-methyl-1-[(Z)-octadec-9-enyl]tetrazole.
What is the SMILES notation for 5-methyl-1-[(Z)-octadec-9-enyl]tetrazole?
The canonical SMILES for 5-methyl-1-[(Z)-octadec-9-enyl]tetrazole is CCCCCCCC/C=C\CCCCCCCCn1nnnc1C.
What is the InChIKey of 5-methyl-1-[(Z)-octadec-9-enyl]tetrazole?
The InChIKey is SFIYXMYUJSBCQR-KHPPLWFESA-N. The full InChI is InChI=1S/C20H38N4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20(2)21-22-23-24/h10-11H,3-9,12-19H2,1-2H3/b11-10-.
What are the key properties of 5-methyl-1-[(Z)-octadec-9-enyl]tetrazole?
5-methyl-1-[(Z)-octadec-9-enyl]tetrazole has a molecular weight of 334.55 g/mol, XLogP of 6.02, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(Z)-octadec-9-enyl]tetrazole is sourced from PubChem (CID 139706977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).