10H-pyridazino[1,2-a]diazepine-4-carboxamide

C10H11N3O — CID 21186962

IUPAC10H-pyridazino[1,2-a]diazepine-4-carboxamide
SMILESNC(=O)C1=CC=CN2CC=CC=CN12
InChIInChI=1S/C10H11N3O/c11-10(14)9-5-4-7-12-6-2-1-3-8-13(9)12/h1-5,7-8H,6H2,(H2,11,14)
InChIKeySZSKFXSHURMJEZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.49
Rot. Bonds1

About 10H-pyridazino[1,2-a]diazepine-4-carboxamide

10H-pyridazino[1,2-a]diazepine-4-carboxamide (PubChem CID 21186962) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 10H-pyridazino[1,2-a]diazepine-4-carboxamide.

Molecular Properties

Compound Name10H-pyridazino[1,2-a]diazepine-4-carboxamide
PubChem CID21186962
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name10H-pyridazino[1,2-a]diazepine-4-carboxamide
SMILESNC(=O)C1=CC=CN2CC=CC=CN12
InChIInChI=1S/C10H11N3O/c11-10(14)9-5-4-7-12-6-2-1-3-8-13(9)12/h1-5,7-8H,6H2,(H2,11,14)
InChIKeySZSKFXSHURMJEZ-UHFFFAOYSA-N
XLogP0.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10H-pyridazino[1,2-a]diazepine-4-carboxamide?
The IUPAC name of 10H-pyridazino[1,2-a]diazepine-4-carboxamide (CID 21186962) is 10H-pyridazino[1,2-a]diazepine-4-carboxamide.
What is the SMILES notation for 10H-pyridazino[1,2-a]diazepine-4-carboxamide?
The canonical SMILES for 10H-pyridazino[1,2-a]diazepine-4-carboxamide is NC(=O)C1=CC=CN2CC=CC=CN12.
What is the InChIKey of 10H-pyridazino[1,2-a]diazepine-4-carboxamide?
The InChIKey is SZSKFXSHURMJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-10(14)9-5-4-7-12-6-2-1-3-8-13(9)12/h1-5,7-8H,6H2,(H2,11,14).
What are the key properties of 10H-pyridazino[1,2-a]diazepine-4-carboxamide?
10H-pyridazino[1,2-a]diazepine-4-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-pyridazino[1,2-a]diazepine-4-carboxamide is sourced from PubChem (CID 21186962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).