N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C17H14N6 — CID 6539450

IUPACN-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCc1ccccc1Nc1nccc(-c2cnn3ncccc23)n1
InChIInChI=1S/C17H14N6/c1-12-5-2-3-6-14(12)21-17-18-10-8-15(22-17)13-11-20-23-16(13)7-4-9-19-23/h2-11H,1H3,(H,18,21,22)
InChIKeyJJWMXOUQWRDJLK-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.24
Rot. Bonds3

About N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 6539450) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID6539450
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC NameN-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCc1ccccc1Nc1nccc(-c2cnn3ncccc23)n1
InChIInChI=1S/C17H14N6/c1-12-5-2-3-6-14(12)21-17-18-10-8-15(22-17)13-11-20-23-16(13)7-4-9-19-23/h2-11H,1H3,(H,18,21,22)
InChIKeyJJWMXOUQWRDJLK-UHFFFAOYSA-N
XLogP3.24
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Decoglurant
CID 71533696
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
Pyrazolo[1,5-b]pyridazine deriv. 20
CID 6539362
Pyrazolo[1,5-b]pyridazine deriv. 30
CID 6539372
Pyrazolo[1,5-b]pyridazine deriv. 34
CID 6539376
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 6539450) is N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is Cc1ccccc1Nc1nccc(-c2cnn3ncccc23)n1.
What is the InChIKey of N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is JJWMXOUQWRDJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-12-5-2-3-6-14(12)21-17-18-10-8-15(22-17)13-11-20-23-16(13)7-4-9-19-23/h2-11H,1H3,(H,18,21,22).
What are the key properties of N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 6539450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).