N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide

C14H14N4O2 — CID 154494644

IUPACN,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide
SMILESCN(C)C(=O)c1n[nH]c(=O)c2c1c1ccccc1n2C
InChIInChI=1S/C14H14N4O2/c1-17(2)14(20)11-10-8-6-4-5-7-9(8)18(3)12(10)13(19)16-15-11/h4-7H,1-3H3,(H,16,19)
InChIKeyIKRSCVBASSZCEU-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.12
Rot. Bonds1

About N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide

N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide (PubChem CID 154494644) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide
PubChem CID154494644
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide
SMILESCN(C)C(=O)c1n[nH]c(=O)c2c1c1ccccc1n2C
InChIInChI=1S/C14H14N4O2/c1-17(2)14(20)11-10-8-6-4-5-7-9(8)18(3)12(10)13(19)16-15-11/h4-7H,1-3H3,(H,16,19)
InChIKeyIKRSCVBASSZCEU-UHFFFAOYSA-N
XLogP1.12
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide?
The IUPAC name of N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide (CID 154494644) is N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide?
The canonical SMILES for N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide is CN(C)C(=O)c1n[nH]c(=O)c2c1c1ccccc1n2C.
What is the InChIKey of N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide?
The InChIKey is IKRSCVBASSZCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-17(2)14(20)11-10-8-6-4-5-7-9(8)18(3)12(10)13(19)16-15-11/h4-7H,1-3H3,(H,16,19).
What are the key properties of N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide?
N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-4-oxo-3H-pyridazino[4,5-b]indole-1-carboxamide is sourced from PubChem (CID 154494644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).