5-methyl-1-(3-methylbut-2-enyl)tetrazole

C7H12N4 — CID 130645043

IUPAC5-methyl-1-(3-methylbut-2-enyl)tetrazole
SMILESCC(C)=CCn1nnnc1C
InChIInChI=1S/C7H12N4/c1-6(2)4-5-11-7(3)8-9-10-11/h4H,5H2,1-3H3
InChIKeyLCPZUPDCADBGLP-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.95
Rot. Bonds2

About 5-methyl-1-(3-methylbut-2-enyl)tetrazole

5-methyl-1-(3-methylbut-2-enyl)tetrazole (PubChem CID 130645043) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-methyl-1-(3-methylbut-2-enyl)tetrazole.

Molecular Properties

Compound Name5-methyl-1-(3-methylbut-2-enyl)tetrazole
PubChem CID130645043
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name5-methyl-1-(3-methylbut-2-enyl)tetrazole
SMILESCC(C)=CCn1nnnc1C
InChIInChI=1S/C7H12N4/c1-6(2)4-5-11-7(3)8-9-10-11/h4H,5H2,1-3H3
InChIKeyLCPZUPDCADBGLP-UHFFFAOYSA-N
XLogP0.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyltetrazol-1-yl)acetamide
CID 71946280
2-(5-methyltetrazol-1-yl)acetyl chloride
CID 165357102
1-(2-bromoprop-2-enyl)-5-methyltetrazole
CID 130619232
2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid
CID 21482131
3-(5-methyltetrazol-1-yl)propanoate
CID 7219833
5-methyl-1-pentyltetrazole
CID 67274114
1-hydroxy-5-methyltetrazole
CID 13223279
5-methyl-1-octyltetrazole
CID 20685309
methyl 3-(5-methyltetrazol-1-yl)propanoate
CID 59922425
2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 131203447
N-methoxy-2-(5-methyltetrazol-1-yl)acetamide
CID 127012088
2-(5-methyltetrazol-1-yl)ethanesulfonyl chloride
CID 103098263

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylbut-2-enyl)tetrazole?
The IUPAC name of 5-methyl-1-(3-methylbut-2-enyl)tetrazole (CID 130645043) is 5-methyl-1-(3-methylbut-2-enyl)tetrazole.
What is the SMILES notation for 5-methyl-1-(3-methylbut-2-enyl)tetrazole?
The canonical SMILES for 5-methyl-1-(3-methylbut-2-enyl)tetrazole is CC(C)=CCn1nnnc1C.
What is the InChIKey of 5-methyl-1-(3-methylbut-2-enyl)tetrazole?
The InChIKey is LCPZUPDCADBGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-6(2)4-5-11-7(3)8-9-10-11/h4H,5H2,1-3H3.
What are the key properties of 5-methyl-1-(3-methylbut-2-enyl)tetrazole?
5-methyl-1-(3-methylbut-2-enyl)tetrazole has a molecular weight of 152.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylbut-2-enyl)tetrazole is sourced from PubChem (CID 130645043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).