N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide

C10H13ClN4O2 — CID 106276043

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide
SMILESCC(C)(CNC(=O)c1ccc(Cl)nn1)C(N)=O
InChIInChI=1S/C10H13ClN4O2/c1-10(2,9(12)17)5-13-8(16)6-3-4-7(11)15-14-6/h3-4H,5H2,1-2H3,(H2,12,17)(H,13,16)
InChIKeyWQVBHAFETKALCC-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.37
Rot. Bonds4

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide (PubChem CID 106276043) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide
PubChem CID106276043
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide
SMILESCC(C)(CNC(=O)c1ccc(Cl)nn1)C(N)=O
InChIInChI=1S/C10H13ClN4O2/c1-10(2,9(12)17)5-13-8(16)6-3-4-7(11)15-14-6/h3-4H,5H2,1-2H3,(H2,12,17)(H,13,16)
InChIKeyWQVBHAFETKALCC-UHFFFAOYSA-N
XLogP0.37
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide (CID 106276043) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide is CC(C)(CNC(=O)c1ccc(Cl)nn1)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide?
The InChIKey is WQVBHAFETKALCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-10(2,9(12)17)5-13-8(16)6-3-4-7(11)15-14-6/h3-4H,5H2,1-2H3,(H2,12,17)(H,13,16).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-chloropyridazine-3-carboxamide is sourced from PubChem (CID 106276043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).