5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine

C10H14N4 — CID 164876605

IUPAC5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine
SMILESCC(C)C1(C)C=CC=Cc2nnnn21
InChIInChI=1S/C10H14N4/c1-8(2)10(3)7-5-4-6-9-11-12-13-14(9)10/h4-8H,1-3H3
InChIKeyVJWGILHKONCYJY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.63
Rot. Bonds1

About 5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine

5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine (PubChem CID 164876605) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine.

Molecular Properties

Compound Name5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine
PubChem CID164876605
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine
SMILESCC(C)C1(C)C=CC=Cc2nnnn21
InChIInChI=1S/C10H14N4/c1-8(2)10(3)7-5-4-6-9-11-12-13-14(9)10/h4-8H,1-3H3
InChIKeyVJWGILHKONCYJY-UHFFFAOYSA-N
XLogP1.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine?
The IUPAC name of 5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine (CID 164876605) is 5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine.
What is the SMILES notation for 5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine?
The canonical SMILES for 5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine is CC(C)C1(C)C=CC=Cc2nnnn21.
What is the InChIKey of 5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine?
The InChIKey is VJWGILHKONCYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8(2)10(3)7-5-4-6-9-11-12-13-14(9)10/h4-8H,1-3H3.
What are the key properties of 5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine?
5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine has a molecular weight of 190.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propan-2-yltetrazolo[1,5-a]azepine is sourced from PubChem (CID 164876605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).