N-propan-2-ylpyridazine-4-carboxamide

C8H11N3O — CID 115736010

IUPACN-propan-2-ylpyridazine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnnc1
InChIInChI=1S/C8H11N3O/c1-6(2)11-8(12)7-3-4-9-10-5-7/h3-6H,1-2H3,(H,11,12)
InChIKeyXALCCQSZXIPGSP-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.61
Rot. Bonds2

About N-propan-2-ylpyridazine-4-carboxamide

N-propan-2-ylpyridazine-4-carboxamide (PubChem CID 115736010) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-propan-2-ylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-ylpyridazine-4-carboxamide
PubChem CID115736010
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-propan-2-ylpyridazine-4-carboxamide
SMILESCC(C)NC(=O)c1ccnnc1
InChIInChI=1S/C8H11N3O/c1-6(2)11-8(12)7-3-4-9-10-5-7/h3-6H,1-2H3,(H,11,12)
InChIKeyXALCCQSZXIPGSP-UHFFFAOYSA-N
XLogP0.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloropropan-2-yl)pyridazine-4-carboxamide
CID 104672603
N-(4-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104668958
tert-butyl 2-(pyridazine-4-carbonylamino)propanoate
CID 154674168
N-propan-2-yl-2-pyridazin-4-ylpyridine-4-carboxamide
CID 155914034
N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide
CID 112705396
N-(1-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 91510473
N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide
CID 106354809
(2S)-4-methoxy-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid
CID 113439174
N-(1-bromobutan-2-yl)pyridazine-4-carboxamide
CID 104672670
N-(1-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104671529
N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide
CID 104671340
N-(2-hydroxy-3-methylbutyl)pyridazine-4-carboxamide
CID 115769407

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpyridazine-4-carboxamide?
The IUPAC name of N-propan-2-ylpyridazine-4-carboxamide (CID 115736010) is N-propan-2-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-propan-2-ylpyridazine-4-carboxamide?
The canonical SMILES for N-propan-2-ylpyridazine-4-carboxamide is CC(C)NC(=O)c1ccnnc1.
What is the InChIKey of N-propan-2-ylpyridazine-4-carboxamide?
The InChIKey is XALCCQSZXIPGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6(2)11-8(12)7-3-4-9-10-5-7/h3-6H,1-2H3,(H,11,12).
What are the key properties of N-propan-2-ylpyridazine-4-carboxamide?
N-propan-2-ylpyridazine-4-carboxamide has a molecular weight of 165.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpyridazine-4-carboxamide is sourced from PubChem (CID 115736010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).