[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone

C14H16N6O — CID 167917238

IUPAC[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCNc1cc2c(nn1)CCN(C(=O)c1ccnc(C)n1)C2
InChIInChI=1S/C14H16N6O/c1-9-16-5-3-12(17-9)14(21)20-6-4-11-10(8-20)7-13(15-2)19-18-11/h3,5,7H,4,6,8H2,1-2H3,(H,15,19)
InChIKeyXXQFEIDBRUSCAZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.82
Rot. Bonds2

About [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone

[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone (PubChem CID 167917238) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone
PubChem CID167917238
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCNc1cc2c(nn1)CCN(C(=O)c1ccnc(C)n1)C2
InChIInChI=1S/C14H16N6O/c1-9-16-5-3-12(17-9)14(21)20-6-4-11-10(8-20)7-13(15-2)19-18-11/h3,5,7H,4,6,8H2,1-2H3,(H,15,19)
InChIKeyXXQFEIDBRUSCAZ-UHFFFAOYSA-N
XLogP0.82
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(cyclopropylmethoxy)phenyl]-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]methanone
CID 56778343
1-[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-quinolin-8-ylethanone
CID 154747926
[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropyl]methanone
CID 95600373
1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone
CID 47255982
(4,4-dimethylpiperazin-4-ium-1-yl)-(2-methylpyrimidin-4-yl)methanone
CID 123694464
[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95600366
(3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone
CID 130925967
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3,5-dimethylanilino)pyrimidin-4-yl]methanone
CID 109308124
3,4-dihydro-1H-isoquinolin-2-yl-[2-(2,5-dimethylanilino)pyrimidin-4-yl]methanone
CID 109308122
1-(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-2-(2-methylphenyl)ethanone
CID 12582691
[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371704
[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
CID 95978130

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone?
The IUPAC name of [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone (CID 167917238) is [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone?
The canonical SMILES for [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone is CNc1cc2c(nn1)CCN(C(=O)c1ccnc(C)n1)C2.
What is the InChIKey of [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone?
The InChIKey is XXQFEIDBRUSCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-16-5-3-12(17-9)14(21)20-6-4-11-10(8-20)7-13(15-2)19-18-11/h3,5,7H,4,6,8H2,1-2H3,(H,15,19).
What are the key properties of [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone?
[3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 284.32 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 167917238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).