5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide

C12H16N4O — CID 142783791

IUPAC5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1(C2=CC(N)NN=C2)C=CC=C(C(N)=O)C1
InChIInChI=1S/C12H16N4O/c1-12(9-5-10(13)16-15-7-9)4-2-3-8(6-12)11(14)17/h2-5,7,10,16H,6,13H2,1H3,(H2,14,17)
InChIKeyXPIVQMPXTRYOAA-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.16
Rot. Bonds2

About 5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide

5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 142783791) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID142783791
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1(C2=CC(N)NN=C2)C=CC=C(C(N)=O)C1
InChIInChI=1S/C12H16N4O/c1-12(9-5-10(13)16-15-7-9)4-2-3-8(6-12)11(14)17/h2-5,7,10,16H,6,13H2,1H3,(H2,14,17)
InChIKeyXPIVQMPXTRYOAA-UHFFFAOYSA-N
XLogP0.16
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 154390068
1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide
CID 175781339
5-(2,3-dihydroxypropoxy)-5-methoxycyclohexa-1,3-diene-1-carboxamide
CID 67946506
1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 152768164
5-amino-5-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 19605004
1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide
CID 131698603
5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide
CID 154345580
5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-5-(5-methyl-2-pyridinyl)cyclohexa-1,3-diene-1-carboxamide
CID 142782500
5-[3-[2-(cyclopropylamino)-6-phenyl-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-5-methylcyclohexa-1,3-diene-1-carboxamide
CID 142784530
carbamodithioic acid;formic acid;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 175313602
1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide
CID 69480217
4,6,6-trimethylcyclooctene-1-carboxamide
CID 163578465

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide (CID 142783791) is 5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide is CC1(C2=CC(N)NN=C2)C=CC=C(C(N)=O)C1.
What is the InChIKey of 5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is XPIVQMPXTRYOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(9-5-10(13)16-15-7-9)4-2-3-8(6-12)11(14)17/h2-5,7,10,16H,6,13H2,1H3,(H2,14,17).
What are the key properties of 5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide?
5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142783791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).