1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine

C18H13F3N6 — CID 175850048

IUPAC1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
SMILESCn1ccc(-c2cc(C(F)(F)F)ccc2-c2nnc(N)c3cnccc23)n1
InChIInChI=1S/C18H13F3N6/c1-27-7-5-15(26-27)13-8-10(18(19,20)21)2-3-11(13)16-12-4-6-23-9-14(12)17(22)25-24-16/h2-9H,1H3,(H2,22,25)
InChIKeyOVLGYMMIEGBPSG-UHFFFAOYSA-N
MW370.34 g/mol
LogP3.69
Rot. Bonds2

About 1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine

1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine (PubChem CID 175850048) has the molecular formula C18H13F3N6 and a molecular weight of 370.34 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
PubChem CID175850048
Molecular FormulaC18H13F3N6
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC Name1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
SMILESCn1ccc(-c2cc(C(F)(F)F)ccc2-c2nnc(N)c3cnccc23)n1
InChIInChI=1S/C18H13F3N6/c1-27-7-5-15(26-27)13-8-10(18(19,20)21)2-3-11(13)16-12-4-6-23-9-14(12)17(22)25-24-16/h2-9H,1H3,(H2,22,25)
InChIKeyOVLGYMMIEGBPSG-UHFFFAOYSA-N
XLogP3.69
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-phenyl-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
CID 175849953
2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethyl)phenol;1-methylpyrrolidin-2-one
CID 171830930
1-[2-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
CID 166456018
2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethyl)phenol;1-(hydroxymethyl)cyclobutan-1-ol
CID 171830854
2-(4-aminopyrido[3,4-d]pyridazin-1-yl)-5-(trifluoromethyl)phenol;piperidin-2-one
CID 171830787
2-[4-[(1-methylpyrazol-4-yl)amino]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852785
N-[(3R)-1-methylpiperidin-3-yl]-1-[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
CID 171852633
2-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 171104130
2-[4-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 171830897
2-[1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 171104169
4-(4-fluoro-2-methoxyphenyl)pyrido[3,4-d]pyridazin-1-amine
CID 170279897
5-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]naphthalene-2-sulfonic acid
CID 86687364

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of 1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine (CID 175850048) is 1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for 1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine is Cn1ccc(-c2cc(C(F)(F)F)ccc2-c2nnc(N)c3cnccc23)n1.
What is the InChIKey of 1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is OVLGYMMIEGBPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6/c1-27-7-5-15(26-27)13-8-10(18(19,20)21)2-3-11(13)16-12-4-6-23-9-14(12)17(22)25-24-16/h2-9H,1H3,(H2,22,25).
What are the key properties of 1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 370.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 175850048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).