2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine

C9H10IN3 — CID 134516679

IUPAC2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine
SMILESCC1=CCCN=C2C=CC(I)=NN12
InChIInChI=1S/C9H10IN3/c1-7-3-2-6-11-9-5-4-8(10)12-13(7)9/h3-5H,2,6H2,1H3
InChIKeyOMJACJUJUSLWLJ-UHFFFAOYSA-N
MW287.10 g/mol
LogP2.31
Rot. Bonds

About 2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine

2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine (PubChem CID 134516679) has the molecular formula C9H10IN3 and a molecular weight of 287.10 g/mol. Its IUPAC name is 2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine.

Molecular Properties

Compound Name2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine
PubChem CID134516679
Molecular FormulaC9H10IN3
Molecular Weight287.10 g/mol
Exact Mass286.99
IUPAC Name2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine
SMILESCC1=CCCN=C2C=CC(I)=NN12
InChIInChI=1S/C9H10IN3/c1-7-3-2-6-11-9-5-4-8(10)12-13(7)9/h3-5H,2,6H2,1H3
InChIKeyOMJACJUJUSLWLJ-UHFFFAOYSA-N
XLogP2.31
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine?
The IUPAC name of 2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine (CID 134516679) is 2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine.
What is the SMILES notation for 2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine?
The canonical SMILES for 2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine is CC1=CCCN=C2C=CC(I)=NN12.
What is the InChIKey of 2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine?
The InChIKey is OMJACJUJUSLWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3/c1-7-3-2-6-11-9-5-4-8(10)12-13(7)9/h3-5H,2,6H2,1H3.
What are the key properties of 2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine?
2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine has a molecular weight of 287.10 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-9-methyl-6,7-dihydropyridazino[1,6-a][1,3]diazepine is sourced from PubChem (CID 134516679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).