5-(3-ethylhexyl)-2-methyltetrazole

C10H20N4 — CID 143473878

IUPAC5-(3-ethylhexyl)-2-methyltetrazole
SMILESCCCC(CC)CCc1nnn(C)n1
InChIInChI=1S/C10H20N4/c1-4-6-9(5-2)7-8-10-11-13-14(3)12-10/h9H,4-8H2,1-3H3
InChIKeyBYAIWHPSZXOULW-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.97
Rot. Bonds6

About 5-(3-ethylhexyl)-2-methyltetrazole

5-(3-ethylhexyl)-2-methyltetrazole (PubChem CID 143473878) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 5-(3-ethylhexyl)-2-methyltetrazole.

Molecular Properties

Compound Name5-(3-ethylhexyl)-2-methyltetrazole
PubChem CID143473878
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name5-(3-ethylhexyl)-2-methyltetrazole
SMILESCCCC(CC)CCc1nnn(C)n1
InChIInChI=1S/C10H20N4/c1-4-6-9(5-2)7-8-10-11-13-14(3)12-10/h9H,4-8H2,1-3H3
InChIKeyBYAIWHPSZXOULW-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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylhexyl)-2-methyltetrazole?
The IUPAC name of 5-(3-ethylhexyl)-2-methyltetrazole (CID 143473878) is 5-(3-ethylhexyl)-2-methyltetrazole.
What is the SMILES notation for 5-(3-ethylhexyl)-2-methyltetrazole?
The canonical SMILES for 5-(3-ethylhexyl)-2-methyltetrazole is CCCC(CC)CCc1nnn(C)n1.
What is the InChIKey of 5-(3-ethylhexyl)-2-methyltetrazole?
The InChIKey is BYAIWHPSZXOULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-6-9(5-2)7-8-10-11-13-14(3)12-10/h9H,4-8H2,1-3H3.
What are the key properties of 5-(3-ethylhexyl)-2-methyltetrazole?
5-(3-ethylhexyl)-2-methyltetrazole 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 5-(3-ethylhexyl)-2-methyltetrazole is sourced from PubChem (CID 143473878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).