N-(4-aminobutan-2-yl)pyridazine-4-carboxamide

C9H14N4O — CID 104668958

IUPACN-(4-aminobutan-2-yl)pyridazine-4-carboxamide
SMILESCC(CCN)NC(=O)c1ccnnc1
InChIInChI=1S/C9H14N4O/c1-7(2-4-10)13-9(14)8-3-5-11-12-6-8/h3,5-7H,2,4,10H2,1H3,(H,13,14)
InChIKeyWKHIROKCAKKEOK-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.06
Rot. Bonds4

About N-(4-aminobutan-2-yl)pyridazine-4-carboxamide

N-(4-aminobutan-2-yl)pyridazine-4-carboxamide (PubChem CID 104668958) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)pyridazine-4-carboxamide
PubChem CID104668958
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(4-aminobutan-2-yl)pyridazine-4-carboxamide
SMILESCC(CCN)NC(=O)c1ccnnc1
InChIInChI=1S/C9H14N4O/c1-7(2-4-10)13-9(14)8-3-5-11-12-6-8/h3,5-7H,2,4,10H2,1H3,(H,13,14)
InChIKeyWKHIROKCAKKEOK-UHFFFAOYSA-N
XLogP-0.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloropropan-2-yl)pyridazine-4-carboxamide
CID 104672603
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
N-(1-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104671529
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
N-(4-aminobutan-2-yl)benzamide
CID 62087210
N-(1-chloro-4-methylpentan-3-yl)pyridazine-4-carboxamide
CID 106354809
N-(4-aminobutan-2-yl)-4-hydroxybenzamide
CID 62092757
N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide
CID 112705396
pyridazine-4-carbohydrazide;hydrochloride
CID 122236542
N-(1-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 91510473
tert-butyl 2-(pyridazine-4-carbonylamino)propanoate
CID 154674168
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide
CID 113439447

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)pyridazine-4-carboxamide (CID 104668958) is N-(4-aminobutan-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)pyridazine-4-carboxamide is CC(CCN)NC(=O)c1ccnnc1.
What is the InChIKey of N-(4-aminobutan-2-yl)pyridazine-4-carboxamide?
The InChIKey is WKHIROKCAKKEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7(2-4-10)13-9(14)8-3-5-11-12-6-8/h3,5-7H,2,4,10H2,1H3,(H,13,14).
What are the key properties of N-(4-aminobutan-2-yl)pyridazine-4-carboxamide?
N-(4-aminobutan-2-yl)pyridazine-4-carboxamide has a molecular weight of 194.24 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 104668958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).