8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C10H17N3 — CID 121367713

IUPAC8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCC(C)N1CCCn2cncc2C1
InChIInChI=1S/C10H17N3/c1-9(2)12-4-3-5-13-8-11-6-10(13)7-12/h6,8-9H,3-5,7H2,1-2H3
InChIKeyWHTMBGYGMWCKOY-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.50
Rot. Bonds1

About 8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 121367713) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID121367713
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCC(C)N1CCCn2cncc2C1
InChIInChI=1S/C10H17N3/c1-9(2)12-4-3-5-13-8-11-6-10(13)7-12/h6,8-9H,3-5,7H2,1-2H3
InChIKeyWHTMBGYGMWCKOY-UHFFFAOYSA-N
XLogP1.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 121367713) is 8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is CC(C)N1CCCn2cncc2C1.
What is the InChIKey of 8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is WHTMBGYGMWCKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(2)12-4-3-5-13-8-11-6-10(13)7-12/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 179.27 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 121367713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).