6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide

C12H19N5O — CID 116640255

IUPAC6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide
SMILESNCC1CCCCCN1c1ccc(C(N)=O)nn1
InChIInChI=1S/C12H19N5O/c13-8-9-4-2-1-3-7-17(9)11-6-5-10(12(14)18)15-16-11/h5-6,9H,1-4,7-8,13H2,(H2,14,18)
InChIKeyPHQIIQXSYGECIW-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.28
Rot. Bonds3

About 6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide

6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide (PubChem CID 116640255) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide
PubChem CID116640255
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide
SMILESNCC1CCCCCN1c1ccc(C(N)=O)nn1
InChIInChI=1S/C12H19N5O/c13-8-9-4-2-1-3-7-17(9)11-6-5-10(12(14)18)15-16-11/h5-6,9H,1-4,7-8,13H2,(H2,14,18)
InChIKeyPHQIIQXSYGECIW-UHFFFAOYSA-N
XLogP0.28
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
6-(2-ethylpiperidin-1-yl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111233
N-methyl-6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133364227
[2-(aminomethyl)pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone;dihydrochloride
CID 119634141
[1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine
CID 116640188
N-[2-(dimethylamino)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109115393
[1-(6-propylpyridazin-3-yl)pyrrolidin-2-yl]methanamine
CID 116973022
[1-(5-tert-butyl-2-pyridinyl)azepan-2-yl]methanamine
CID 107875713
2-[1-(6-methylpyridazin-3-yl)piperidin-2-yl]ethanamine
CID 63655181
2-[1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidin-2-yl]acetic acid
CID 61371685
[1-[6-(oxan-4-yl)pyridazin-3-yl]pyrrolidin-2-yl]methanamine
CID 116973042
N-benzyl-6-(2-ethylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125114

Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide (CID 116640255) is 6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide is NCC1CCCCCN1c1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide?
The InChIKey is PHQIIQXSYGECIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-8-9-4-2-1-3-7-17(9)11-6-5-10(12(14)18)15-16-11/h5-6,9H,1-4,7-8,13H2,(H2,14,18).
What are the key properties of 6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide?
6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 116640255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).