8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine

C10H18N4 — CID 24846477

IUPAC8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
SMILESCC1Cc2nnnn2CC(C(C)C)C1
InChIInChI=1S/C10H18N4/c1-7(2)9-4-8(3)5-10-11-12-13-14(10)6-9/h7-9H,4-6H2,1-3H3
InChIKeyJJDWOMOCKPSTGQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.53
Rot. Bonds1

About 8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine

8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine (PubChem CID 24846477) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine.

Molecular Properties

Compound Name8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
PubChem CID24846477
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine
SMILESCC1Cc2nnnn2CC(C(C)C)C1
InChIInChI=1S/C10H18N4/c1-7(2)9-4-8(3)5-10-11-12-13-14(10)6-9/h7-9H,4-6H2,1-3H3
InChIKeyJJDWOMOCKPSTGQ-UHFFFAOYSA-N
XLogP1.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S,7S)-6,7-dimethyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
CID 58714711
diphosphanyl-[(6S,7S)-7-methyl-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridin-6-yl]-phosphanylphosphane
CID 58845423
(3R,5S)-1,3-dimethyl-5-propan-2-ylpiperidine
CID 134236190
(4R,6S)-4-methyl-6-propan-2-yloxepan-2-one
CID 45096478
6-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 177227538
6-methyl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840303
1,2-dimethyl-4-propan-2-ylpyrrolidine
CID 142849409
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
(6S)-7-benzyl-6-(2-methylpropyl)-6,8-dihydro-5H-tetrazolo[1,5-a]pyrazine
CID 102037909
cis-(1S,3R)-1-methyl-3-propan-2-ylcyclopentane;ethane;hydrofluoride
CID 169140803
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
1,2,4-tri(propan-2-yl)cyclopentene
CID 20780367

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine?
The IUPAC name of 8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine (CID 24846477) is 8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine.
What is the SMILES notation for 8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine?
The canonical SMILES for 8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine is CC1Cc2nnnn2CC(C(C)C)C1.
What is the InChIKey of 8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine?
The InChIKey is JJDWOMOCKPSTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)9-4-8(3)5-10-11-12-13-14(10)6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine?
8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine has a molecular weight of 194.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-propan-2-yl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine is sourced from PubChem (CID 24846477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).