1-(3-methylbutyl)tetrazole

C6H12N4 — CID 23273423

IUPAC1-(3-methylbutyl)tetrazole
SMILESCC(C)CCn1cnnn1
InChIInChI=1S/C6H12N4/c1-6(2)3-4-10-5-7-8-9-10/h5-6H,3-4H2,1-2H3
InChIKeyYJZHQSFDSTXGMK-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.72
Rot. Bonds3

About 1-(3-methylbutyl)tetrazole

1-(3-methylbutyl)tetrazole (PubChem CID 23273423) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(3-methylbutyl)tetrazole.

Molecular Properties

Compound Name1-(3-methylbutyl)tetrazole
PubChem CID23273423
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-(3-methylbutyl)tetrazole
SMILESCC(C)CCn1cnnn1
InChIInChI=1S/C6H12N4/c1-6(2)3-4-10-5-7-8-9-10/h5-6H,3-4H2,1-2H3
InChIKeyYJZHQSFDSTXGMK-UHFFFAOYSA-N
XLogP0.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)tetrazole?
The IUPAC name of 1-(3-methylbutyl)tetrazole (CID 23273423) is 1-(3-methylbutyl)tetrazole.
What is the SMILES notation for 1-(3-methylbutyl)tetrazole?
The canonical SMILES for 1-(3-methylbutyl)tetrazole is CC(C)CCn1cnnn1.
What is the InChIKey of 1-(3-methylbutyl)tetrazole?
The InChIKey is YJZHQSFDSTXGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-6(2)3-4-10-5-7-8-9-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)tetrazole?
1-(3-methylbutyl)tetrazole has a molecular weight of 140.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)tetrazole is sourced from PubChem (CID 23273423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).