6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide

C13H16N6O2 — CID 118739350

IUPAC6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESNC(=O)N1Cc2nccn2CC(Cn2ncccc2=O)C1
InChIInChI=1S/C13H16N6O2/c14-13(21)18-7-10(6-17-5-4-15-11(17)9-18)8-19-12(20)2-1-3-16-19/h1-5,10H,6-9H2,(H2,14,21)
InChIKeyCFRPVQBLGBXIHQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.35
Rot. Bonds2

About 6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide

6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (PubChem CID 118739350) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.

Molecular Properties

Compound Name6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
PubChem CID118739350
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
SMILESNC(=O)N1Cc2nccn2CC(Cn2ncccc2=O)C1
InChIInChI=1S/C13H16N6O2/c14-13(21)18-7-10(6-17-5-4-15-11(17)9-18)8-19-12(20)2-1-3-16-19/h1-5,10H,6-9H2,(H2,14,21)
InChIKeyCFRPVQBLGBXIHQ-UHFFFAOYSA-N
XLogP-0.35
TPSA99.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The IUPAC name of 6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide (CID 118739350) is 6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide.
What is the SMILES notation for 6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The canonical SMILES for 6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is NC(=O)N1Cc2nccn2CC(Cn2ncccc2=O)C1.
What is the InChIKey of 6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
The InChIKey is CFRPVQBLGBXIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c14-13(21)18-7-10(6-17-5-4-15-11(17)9-18)8-19-12(20)2-1-3-16-19/h1-5,10H,6-9H2,(H2,14,21).
What are the key properties of 6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide?
6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide has a molecular weight of 288.31 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-oxopyridazin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide is sourced from PubChem (CID 118739350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).