2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one

C18H25N5O — CID 118743338

IUPAC2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CN(CC2CCCC2)Cc2nccn2C1
InChIInChI=1S/C18H25N5O/c24-18-6-3-7-20-23(18)13-16-11-21(10-15-4-1-2-5-15)14-17-19-8-9-22(17)12-16/h3,6-9,15-16H,1-2,4-5,10-14H2
InChIKeyKOKNTLJVIJKGAD-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.76
Rot. Bonds4

About 2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one

2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one (PubChem CID 118743338) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
PubChem CID118743338
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CN(CC2CCCC2)Cc2nccn2C1
InChIInChI=1S/C18H25N5O/c24-18-6-3-7-20-23(18)13-16-11-21(10-15-4-1-2-5-15)14-17-19-8-9-22(17)12-16/h3,6-9,15-16H,1-2,4-5,10-14H2
InChIKeyKOKNTLJVIJKGAD-UHFFFAOYSA-N
XLogP1.76
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one (CID 118743338) is 2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one is O=c1cccnn1CC1CN(CC2CCCC2)Cc2nccn2C1.
What is the InChIKey of 2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
The InChIKey is KOKNTLJVIJKGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c24-18-6-3-7-20-23(18)13-16-11-21(10-15-4-1-2-5-15)14-17-19-8-9-22(17)12-16/h3,6-9,15-16H,1-2,4-5,10-14H2.
What are the key properties of 2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one?
2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one has a molecular weight of 327.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(cyclopentylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 118743338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).