N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine

C19H17F3N4O — CID 165023408

IUPACN-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
SMILESFC(F)(F)c1ccc(-c2nnc(NCC3CCCO3)c3cnccc23)cc1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)13-5-3-12(4-6-13)17-15-7-8-23-11-16(15)18(26-25-17)24-10-14-2-1-9-27-14/h3-8,11,14H,1-2,9-10H2,(H,24,26)
InChIKeyLNAIGKZLXPRVDW-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.30
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine

N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine (PubChem CID 165023408) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
PubChem CID165023408
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine
SMILESFC(F)(F)c1ccc(-c2nnc(NCC3CCCO3)c3cnccc23)cc1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)13-5-3-12(4-6-13)17-15-7-8-23-11-16(15)18(26-25-17)24-10-14-2-1-9-27-14/h3-8,11,14H,1-2,9-10H2,(H,24,26)
InChIKeyLNAIGKZLXPRVDW-UHFFFAOYSA-N
XLogP4.30
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine (CID 165023408) is N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine is FC(F)(F)c1ccc(-c2nnc(NCC3CCCO3)c3cnccc23)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is LNAIGKZLXPRVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)13-5-3-12(4-6-13)17-15-7-8-23-11-16(15)18(26-25-17)24-10-14-2-1-9-27-14/h3-8,11,14H,1-2,9-10H2,(H,24,26).
What are the key properties of N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine?
N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 374.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 165023408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).