6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine

C15H17FN6 — CID 75201633

IUPAC6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine
SMILESCNc1cc(N(C)Cc2ccc(F)cc2)nn2c(C)nnc12
InChIInChI=1S/C15H17FN6/c1-10-18-19-15-13(17-2)8-14(20-22(10)15)21(3)9-11-4-6-12(16)7-5-11/h4-8,17H,9H2,1-3H3
InChIKeyFEDNFGKDPCVEHU-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.25
Rot. Bonds4

About 6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine

6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine (PubChem CID 75201633) has the molecular formula C15H17FN6 and a molecular weight of 300.34 g/mol. Its IUPAC name is 6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine
PubChem CID75201633
Molecular FormulaC15H17FN6
Molecular Weight300.34 g/mol
Exact Mass300.15
IUPAC Name6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine
SMILESCNc1cc(N(C)Cc2ccc(F)cc2)nn2c(C)nnc12
InChIInChI=1S/C15H17FN6/c1-10-18-19-15-13(17-2)8-14(20-22(10)15)21(3)9-11-4-6-12(16)7-5-11/h4-8,17H,9H2,1-3H3
InChIKeyFEDNFGKDPCVEHU-UHFFFAOYSA-N
XLogP2.25
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine?
The IUPAC name of 6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine (CID 75201633) is 6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine.
What is the SMILES notation for 6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine?
The canonical SMILES for 6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine is CNc1cc(N(C)Cc2ccc(F)cc2)nn2c(C)nnc12.
What is the InChIKey of 6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine?
The InChIKey is FEDNFGKDPCVEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6/c1-10-18-19-15-13(17-2)8-14(20-22(10)15)21(3)9-11-4-6-12(16)7-5-11/h4-8,17H,9H2,1-3H3.
What are the key properties of 6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine?
6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine has a molecular weight of 300.34 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-fluorophenyl)methyl]-6-N,8-N,3-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine-6,8-diamine is sourced from PubChem (CID 75201633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).