4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide

C12H18N4O2 — CID 104963823

IUPAC4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C12H18N4O2/c13-7-8-1-3-9(4-2-8)12(18)14-10-5-6-11(17)16-15-10/h5-6,8-9H,1-4,7,13H2,(H,16,17)(H,14,15,18)
InChIKeyCAHRBYREUXTVEC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.47
Rot. Bonds3

About 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide (PubChem CID 104963823) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide
PubChem CID104963823
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)Nc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C12H18N4O2/c13-7-8-1-3-9(4-2-8)12(18)14-10-5-6-11(17)16-15-10/h5-6,8-9H,1-4,7,13H2,(H,16,17)(H,14,15,18)
InChIKeyCAHRBYREUXTVEC-UHFFFAOYSA-N
XLogP0.47
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(6-oxo-1H-pyridazin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 116786903
4-(aminomethyl)-N-(5-bromopyrazin-2-yl)cyclohexane-1-carboxamide
CID 79526691
4-amino-N-(6-oxo-1H-pyridazin-3-yl)cyclopent-2-ene-1-carboxamide
CID 116786888
5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
CID 107437746
N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 116786997
4-(aminomethyl)-N-(2,3-dioxo-1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide
CID 18998596
4-(aminomethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)cyclohexane-1-carboxamide;hydrate;dihydrobromide
CID 22353672
1-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1,4-dicarboxamide
CID 108887466
4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide
CID 18998617
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-(6-oxo-1H-pyrimidin-2-yl)cyclopropanecarboxamide
CID 123394548
N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887313

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide (CID 104963823) is 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)Nc2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is CAHRBYREUXTVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-7-8-1-3-9(4-2-8)12(18)14-10-5-6-11(17)16-15-10/h5-6,8-9H,1-4,7,13H2,(H,16,17)(H,14,15,18).
What are the key properties of 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104963823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).