8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C15H25N3O — CID 97381707

IUPAC8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCC(C)OCc1ncn2c1CN(CC1CC1)CCC2
InChIInChI=1S/C15H25N3O/c1-12(2)19-10-14-15-9-17(8-13-4-5-13)6-3-7-18(15)11-16-14/h11-13H,3-10H2,1-2H3
InChIKeyYUQFDFIHAYEPRY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.42
Rot. Bonds5

About 8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 97381707) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID97381707
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCC(C)OCc1ncn2c1CN(CC1CC1)CCC2
InChIInChI=1S/C15H25N3O/c1-12(2)19-10-14-15-9-17(8-13-4-5-13)6-3-7-18(15)11-16-14/h11-13H,3-10H2,1-2H3
InChIKeyYUQFDFIHAYEPRY-UHFFFAOYSA-N
XLogP2.42
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 97381707) is 8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is CC(C)OCc1ncn2c1CN(CC1CC1)CCC2.
What is the InChIKey of 8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is YUQFDFIHAYEPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)19-10-14-15-9-17(8-13-4-5-13)6-3-7-18(15)11-16-14/h11-13H,3-10H2,1-2H3.
What are the key properties of 8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 263.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97381707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).