5H-pyridazino[4,3-c]diazepine

C7H6N4 — CID 66823966

IUPAC5H-pyridazino[4,3-c]diazepine
SMILESC1=Cc2nnccc2NN=C1
InChIInChI=1S/C7H6N4/c1-2-6-7(11-8-4-1)3-5-9-10-6/h1-5,11H
InChIKeyRLQGBSLEGPOJAZ-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.90
Rot. Bonds

About 5H-pyridazino[4,3-c]diazepine

5H-pyridazino[4,3-c]diazepine (PubChem CID 66823966) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 5H-pyridazino[4,3-c]diazepine.

Molecular Properties

Compound Name5H-pyridazino[4,3-c]diazepine
PubChem CID66823966
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name5H-pyridazino[4,3-c]diazepine
SMILESC1=Cc2nnccc2NN=C1
InChIInChI=1S/C7H6N4/c1-2-6-7(11-8-4-1)3-5-9-10-6/h1-5,11H
InChIKeyRLQGBSLEGPOJAZ-UHFFFAOYSA-N
XLogP0.90
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-pyridazino[4,3-c]diazepine?
The IUPAC name of 5H-pyridazino[4,3-c]diazepine (CID 66823966) is 5H-pyridazino[4,3-c]diazepine.
What is the SMILES notation for 5H-pyridazino[4,3-c]diazepine?
The canonical SMILES for 5H-pyridazino[4,3-c]diazepine is C1=Cc2nnccc2NN=C1.
What is the InChIKey of 5H-pyridazino[4,3-c]diazepine?
The InChIKey is RLQGBSLEGPOJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-6-7(11-8-4-1)3-5-9-10-6/h1-5,11H.
What are the key properties of 5H-pyridazino[4,3-c]diazepine?
5H-pyridazino[4,3-c]diazepine has a molecular weight of 146.15 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyridazino[4,3-c]diazepine is sourced from PubChem (CID 66823966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).