N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C12H18N4O2 — CID 119404391

IUPACN-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESNC1(CNC(=O)c2ccc(=O)[nH]n2)CCCCC1
InChIInChI=1S/C12H18N4O2/c13-12(6-2-1-3-7-12)8-14-11(18)9-4-5-10(17)16-15-9/h4-5H,1-3,6-8,13H2,(H,14,18)(H,16,17)
InChIKeyZVLJWCCXWPCEOJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.16
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 119404391) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID119404391
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESNC1(CNC(=O)c2ccc(=O)[nH]n2)CCCCC1
InChIInChI=1S/C12H18N4O2/c13-12(6-2-1-3-7-12)8-14-11(18)9-4-5-10(17)16-15-9/h4-5H,1-3,6-8,13H2,(H,14,18)(H,16,17)
InChIKeyZVLJWCCXWPCEOJ-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(bromomethyl)cyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 114040994
N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 119404313
6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
CID 30539711
N-[(1-aminocyclohexyl)methyl]-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119404378
N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249
N-[(1-aminocyclobutyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 103352581
N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide
CID 154577373
6-oxo-N-(piperidin-2-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805977
N-[4-(aminomethyl)oxan-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106297346
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318
6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805411
N-[(1-aminocyclohexyl)methyl]furan-2-carboxamide
CID 119404531

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 119404391) is N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is NC1(CNC(=O)c2ccc(=O)[nH]n2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is ZVLJWCCXWPCEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-12(6-2-1-3-7-12)8-14-11(18)9-4-5-10(17)16-15-9/h4-5H,1-3,6-8,13H2,(H,14,18)(H,16,17).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 119404391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).