5-heptan-4-yl-2-methyltetrazole

C9H18N4 — CID 13374828

IUPAC5-heptan-4-yl-2-methyltetrazole
SMILESCCCC(CCC)c1nnn(C)n1
InChIInChI=1S/C9H18N4/c1-4-6-8(7-5-2)9-10-12-13(3)11-9/h8H,4-7H2,1-3H3
InChIKeyHHMQOGMMHNUFIR-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.89
Rot. Bonds5

About 5-heptan-4-yl-2-methyltetrazole

5-heptan-4-yl-2-methyltetrazole (PubChem CID 13374828) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-heptan-4-yl-2-methyltetrazole.

Molecular Properties

Compound Name5-heptan-4-yl-2-methyltetrazole
PubChem CID13374828
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name5-heptan-4-yl-2-methyltetrazole
SMILESCCCC(CCC)c1nnn(C)n1
InChIInChI=1S/C9H18N4/c1-4-6-8(7-5-2)9-10-12-13(3)11-9/h8H,4-7H2,1-3H3
InChIKeyHHMQOGMMHNUFIR-UHFFFAOYSA-N
XLogP1.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-heptan-4-yl-2-methyltetrazole?
The IUPAC name of 5-heptan-4-yl-2-methyltetrazole (CID 13374828) is 5-heptan-4-yl-2-methyltetrazole.
What is the SMILES notation for 5-heptan-4-yl-2-methyltetrazole?
The canonical SMILES for 5-heptan-4-yl-2-methyltetrazole is CCCC(CCC)c1nnn(C)n1.
What is the InChIKey of 5-heptan-4-yl-2-methyltetrazole?
The InChIKey is HHMQOGMMHNUFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-6-8(7-5-2)9-10-12-13(3)11-9/h8H,4-7H2,1-3H3.
What are the key properties of 5-heptan-4-yl-2-methyltetrazole?
5-heptan-4-yl-2-methyltetrazole has a molecular weight of 182.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-4-yl-2-methyltetrazole is sourced from PubChem (CID 13374828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).