1-methyl-5-octan-4-yl-2,5-dihydrotetrazole

C10H22N4 — CID 123405639

IUPAC1-methyl-5-octan-4-yl-2,5-dihydrotetrazole
SMILESCCCCC(CCC)C1N=NNN1C
InChIInChI=1S/C10H22N4/c1-4-6-8-9(7-5-2)10-11-12-13-14(10)3/h9-10H,4-8H2,1-3H3,(H,11,13)
InChIKeyUWVQMAQSZRDHDR-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.74
Rot. Bonds6

About 1-methyl-5-octan-4-yl-2,5-dihydrotetrazole

1-methyl-5-octan-4-yl-2,5-dihydrotetrazole (PubChem CID 123405639) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-5-octan-4-yl-2,5-dihydrotetrazole.

Molecular Properties

Compound Name1-methyl-5-octan-4-yl-2,5-dihydrotetrazole
PubChem CID123405639
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name1-methyl-5-octan-4-yl-2,5-dihydrotetrazole
SMILESCCCCC(CCC)C1N=NNN1C
InChIInChI=1S/C10H22N4/c1-4-6-8-9(7-5-2)10-11-12-13-14(10)3/h9-10H,4-8H2,1-3H3,(H,11,13)
InChIKeyUWVQMAQSZRDHDR-UHFFFAOYSA-N
XLogP2.74
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-octan-4-yl-2,5-dihydrotetrazole?
The IUPAC name of 1-methyl-5-octan-4-yl-2,5-dihydrotetrazole (CID 123405639) is 1-methyl-5-octan-4-yl-2,5-dihydrotetrazole.
What is the SMILES notation for 1-methyl-5-octan-4-yl-2,5-dihydrotetrazole?
The canonical SMILES for 1-methyl-5-octan-4-yl-2,5-dihydrotetrazole is CCCCC(CCC)C1N=NNN1C.
What is the InChIKey of 1-methyl-5-octan-4-yl-2,5-dihydrotetrazole?
The InChIKey is UWVQMAQSZRDHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-4-6-8-9(7-5-2)10-11-12-13-14(10)3/h9-10H,4-8H2,1-3H3,(H,11,13).
What are the key properties of 1-methyl-5-octan-4-yl-2,5-dihydrotetrazole?
1-methyl-5-octan-4-yl-2,5-dihydrotetrazole has a molecular weight of 198.31 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-octan-4-yl-2,5-dihydrotetrazole is sourced from PubChem (CID 123405639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).