5-(2-methylpropyl)-2-pentyltetrazole

C10H20N4 — CID 69030180

IUPAC5-(2-methylpropyl)-2-pentyltetrazole
SMILESCCCCCn1nnc(CC(C)C)n1
InChIInChI=1S/C10H20N4/c1-4-5-6-7-14-12-10(11-13-14)8-9(2)3/h9H,4-8H2,1-3H3
InChIKeyLNEOQBZBUQXERR-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.06
Rot. Bonds6

About 5-(2-methylpropyl)-2-pentyltetrazole

5-(2-methylpropyl)-2-pentyltetrazole (PubChem CID 69030180) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-pentyltetrazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-pentyltetrazole
PubChem CID69030180
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name5-(2-methylpropyl)-2-pentyltetrazole
SMILESCCCCCn1nnc(CC(C)C)n1
InChIInChI=1S/C10H20N4/c1-4-5-6-7-14-12-10(11-13-14)8-9(2)3/h9H,4-8H2,1-3H3
InChIKeyLNEOQBZBUQXERR-UHFFFAOYSA-N
XLogP2.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-pentyltetrazole?
The IUPAC name of 5-(2-methylpropyl)-2-pentyltetrazole (CID 69030180) is 5-(2-methylpropyl)-2-pentyltetrazole.
What is the SMILES notation for 5-(2-methylpropyl)-2-pentyltetrazole?
The canonical SMILES for 5-(2-methylpropyl)-2-pentyltetrazole is CCCCCn1nnc(CC(C)C)n1.
What is the InChIKey of 5-(2-methylpropyl)-2-pentyltetrazole?
The InChIKey is LNEOQBZBUQXERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-5-6-7-14-12-10(11-13-14)8-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-2-pentyltetrazole?
5-(2-methylpropyl)-2-pentyltetrazole has a molecular weight of 196.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-pentyltetrazole is sourced from PubChem (CID 69030180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).