7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine

C18H10ClF3N6 — CID 58945600

IUPAC7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine
SMILESFC(F)(F)c1ccc(Nc2cnnc3nc(-c4ncccc4Cl)cnc23)cc1
InChIInChI=1S/C18H10ClF3N6/c19-12-2-1-7-23-15(12)13-8-24-16-14(9-25-28-17(16)27-13)26-11-5-3-10(4-6-11)18(20,21)22/h1-9H,(H,26,27,28)
InChIKeyPRCHIZXZKPAOTQ-UHFFFAOYSA-N
MW402.77 g/mol
LogP4.90
Rot. Bonds3

About 7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine

7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine (PubChem CID 58945600) has the molecular formula C18H10ClF3N6 and a molecular weight of 402.77 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine
PubChem CID58945600
Molecular FormulaC18H10ClF3N6
Molecular Weight402.77 g/mol
Exact Mass402.06
IUPAC Name7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine
SMILESFC(F)(F)c1ccc(Nc2cnnc3nc(-c4ncccc4Cl)cnc23)cc1
InChIInChI=1S/C18H10ClF3N6/c19-12-2-1-7-23-15(12)13-8-24-16-14(9-25-28-17(16)27-13)26-11-5-3-10(4-6-11)18(20,21)22/h1-9H,(H,26,27,28)
InChIKeyPRCHIZXZKPAOTQ-UHFFFAOYSA-N
XLogP4.90
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.77
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(iodomethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-c]pyridazin-4-amine
CID 89338710
7-(3-chloro-2-pyridinyl)-2-(2-methoxyethoxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10005778
1-(3-chloro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]hydrazine
CID 141429502
7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306686
N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide
CID 175873735
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 58949655
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole
CID 141326992
2-N-(2,6-dichlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882956
6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 11669890
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866611
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19144821

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine (CID 58945600) is 7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine is FC(F)(F)c1ccc(Nc2cnnc3nc(-c4ncccc4Cl)cnc23)cc1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine?
The InChIKey is PRCHIZXZKPAOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N6/c19-12-2-1-7-23-15(12)13-8-24-16-14(9-25-28-17(16)27-13)26-11-5-3-10(4-6-11)18(20,21)22/h1-9H,(H,26,27,28).
What are the key properties of 7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine?
7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine has a molecular weight of 402.77 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine is sourced from PubChem (CID 58945600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).