10H-pyridazino[1,2-a]diazepine

C9H10N2 — CID 18419365

IUPAC10H-pyridazino[1,2-a]diazepine
SMILESC1=CCN2C=CC=CN2C=C1
InChIInChI=1S/C9H10N2/c1-2-6-10-8-4-5-9-11(10)7-3-1/h1-6,8-9H,7H2
InChIKeyOTZVFNQKBGMBHC-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.63
Rot. Bonds

About 10H-pyridazino[1,2-a]diazepine

10H-pyridazino[1,2-a]diazepine (PubChem CID 18419365) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 10H-pyridazino[1,2-a]diazepine.

Molecular Properties

Compound Name10H-pyridazino[1,2-a]diazepine
PubChem CID18419365
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name10H-pyridazino[1,2-a]diazepine
SMILESC1=CCN2C=CC=CN2C=C1
InChIInChI=1S/C9H10N2/c1-2-6-10-8-4-5-9-11(10)7-3-1/h1-6,8-9H,7H2
InChIKeyOTZVFNQKBGMBHC-UHFFFAOYSA-N
XLogP1.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10H-pyridazino[1,2-a]diazepine?
The IUPAC name of 10H-pyridazino[1,2-a]diazepine (CID 18419365) is 10H-pyridazino[1,2-a]diazepine.
What is the SMILES notation for 10H-pyridazino[1,2-a]diazepine?
The canonical SMILES for 10H-pyridazino[1,2-a]diazepine is C1=CCN2C=CC=CN2C=C1.
What is the InChIKey of 10H-pyridazino[1,2-a]diazepine?
The InChIKey is OTZVFNQKBGMBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-6-10-8-4-5-9-11(10)7-3-1/h1-6,8-9H,7H2.
What are the key properties of 10H-pyridazino[1,2-a]diazepine?
10H-pyridazino[1,2-a]diazepine has a molecular weight of 146.19 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-pyridazino[1,2-a]diazepine is sourced from PubChem (CID 18419365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).