1-(4-methylpentyl)tetrazole

C7H14N4 — CID 57218048

IUPAC1-(4-methylpentyl)tetrazole
SMILESCC(C)CCCn1cnnn1
InChIInChI=1S/C7H14N4/c1-7(2)4-3-5-11-6-8-9-10-11/h6-7H,3-5H2,1-2H3
InChIKeyADJAJOPENZSCSO-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.11
Rot. Bonds4

About 1-(4-methylpentyl)tetrazole

1-(4-methylpentyl)tetrazole (PubChem CID 57218048) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(4-methylpentyl)tetrazole.

Molecular Properties

Compound Name1-(4-methylpentyl)tetrazole
PubChem CID57218048
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-(4-methylpentyl)tetrazole
SMILESCC(C)CCCn1cnnn1
InChIInChI=1S/C7H14N4/c1-7(2)4-3-5-11-6-8-9-10-11/h6-7H,3-5H2,1-2H3
InChIKeyADJAJOPENZSCSO-UHFFFAOYSA-N
XLogP1.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)tetrazole?
The IUPAC name of 1-(4-methylpentyl)tetrazole (CID 57218048) is 1-(4-methylpentyl)tetrazole.
What is the SMILES notation for 1-(4-methylpentyl)tetrazole?
The canonical SMILES for 1-(4-methylpentyl)tetrazole is CC(C)CCCn1cnnn1.
What is the InChIKey of 1-(4-methylpentyl)tetrazole?
The InChIKey is ADJAJOPENZSCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-7(2)4-3-5-11-6-8-9-10-11/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)tetrazole?
1-(4-methylpentyl)tetrazole has a molecular weight of 154.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)tetrazole is sourced from PubChem (CID 57218048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).