N-(1-aminobutan-2-yl)pyridazine-4-carboxamide

C9H14N4O — CID 104671529

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

About N-(1-aminobutan-2-yl)pyridazine-4-carboxamide

N-(1-aminobutan-2-yl)pyridazine-4-carboxamide (PubChem CID 104671529) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)pyridazine-4-carboxamide
PubChem CID104671529
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(1-aminobutan-2-yl)pyridazine-4-carboxamide
SMILESCCC(CN)NC(=O)c1ccnnc1
InChIInChI=1S/C9H14N4O/c1-2-8(5-10)13-9(14)7-3-4-11-12-6-7/h3-4,6,8H,2,5,10H2,1H3,(H,13,14)
InChIKeyDLOMHMNUGWGZKS-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-bromobutan-2-yl)pyridazine-4-carboxamide
CID 104672670
N-hex-5-yn-3-ylpyridazine-4-carboxamide
CID 115769387
N-(4-aminobutan-2-yl)pyridazine-4-carboxamide
CID 104668958
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
N-(1-aminobutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 65193836
N-(1-chloropropan-2-yl)pyridazine-4-carboxamide
CID 104672603
N-(1-aminobutan-2-yl)-4-propan-2-ylbenzamide
CID 63753720
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
pyridazine-4-carbohydrazide;hydrochloride
CID 122236542
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide
CID 113439447
3-N-(1-aminobutan-2-yl)benzene-1,3-dicarboxamide
CID 65193984
N-(1-aminobutan-2-yl)-1H-indazole-6-carboxamide
CID 65193937

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(1-aminobutan-2-yl)pyridazine-4-carboxamide (CID 104671529) is N-(1-aminobutan-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(1-aminobutan-2-yl)pyridazine-4-carboxamide is CCC(CN)NC(=O)c1ccnnc1.
What is the InChIKey of N-(1-aminobutan-2-yl)pyridazine-4-carboxamide?
The InChIKey is DLOMHMNUGWGZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-8(5-10)13-9(14)7-3-4-11-12-6-7/h3-4,6,8H,2,5,10H2,1H3,(H,13,14).
What are the key properties of N-(1-aminobutan-2-yl)pyridazine-4-carboxamide?
N-(1-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-(1-aminobutan-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 104671529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).