1-methyl-5-(5-methylheptyl)tetrazole

C10H20N4 — CID 129015394

IUPAC1-methyl-5-(5-methylheptyl)tetrazole
SMILESCCC(C)CCCCc1nnnn1C
InChIInChI=1S/C10H20N4/c1-4-9(2)7-5-6-8-10-11-12-13-14(10)3/h9H,4-8H2,1-3H3
InChIKeyHQUAEJXESNMNMW-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.97
Rot. Bonds6

About 1-methyl-5-(5-methylheptyl)tetrazole

1-methyl-5-(5-methylheptyl)tetrazole (PubChem CID 129015394) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-methyl-5-(5-methylheptyl)tetrazole.

Molecular Properties

Compound Name1-methyl-5-(5-methylheptyl)tetrazole
PubChem CID129015394
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-methyl-5-(5-methylheptyl)tetrazole
SMILESCCC(C)CCCCc1nnnn1C
InChIInChI=1S/C10H20N4/c1-4-9(2)7-5-6-8-10-11-12-13-14(10)3/h9H,4-8H2,1-3H3
InChIKeyHQUAEJXESNMNMW-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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 1-methyl-5-(5-methylheptyl)tetrazole?
The IUPAC name of 1-methyl-5-(5-methylheptyl)tetrazole (CID 129015394) is 1-methyl-5-(5-methylheptyl)tetrazole.
What is the SMILES notation for 1-methyl-5-(5-methylheptyl)tetrazole?
The canonical SMILES for 1-methyl-5-(5-methylheptyl)tetrazole is CCC(C)CCCCc1nnnn1C.
What is the InChIKey of 1-methyl-5-(5-methylheptyl)tetrazole?
The InChIKey is HQUAEJXESNMNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-9(2)7-5-6-8-10-11-12-13-14(10)3/h9H,4-8H2,1-3H3.
What are the key properties of 1-methyl-5-(5-methylheptyl)tetrazole?
1-methyl-5-(5-methylheptyl)tetrazole has a molecular weight of 196.30 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-methylheptyl)tetrazole is sourced from PubChem (CID 129015394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).