N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine

C22H18FN5O — CID 22118868

IUPACN-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCOc1ccc(-c2nnc(-c3ccccn3)nc2NCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H18FN5O/c1-29-18-11-7-16(8-12-18)20-22(25-14-15-5-9-17(23)10-6-15)26-21(28-27-20)19-4-2-3-13-24-19/h2-13H,14H2,1H3,(H,25,26,28)
InChIKeyLTCNEQUXBVULNY-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.36
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine

N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 22118868) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID22118868
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC NameN-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCOc1ccc(-c2nnc(-c3ccccn3)nc2NCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H18FN5O/c1-29-18-11-7-16(8-12-18)20-22(25-14-15-5-9-17(23)10-6-15)26-21(28-27-20)19-4-2-3-13-24-19/h2-13H,14H2,1H3,(H,25,26,28)
InChIKeyLTCNEQUXBVULNY-UHFFFAOYSA-N
XLogP4.36
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 22118868) is N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine is COc1ccc(-c2nnc(-c3ccccn3)nc2NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is LTCNEQUXBVULNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c1-29-18-11-7-16(8-12-18)20-22(25-14-15-5-9-17(23)10-6-15)26-21(28-27-20)19-4-2-3-13-24-19/h2-13H,14H2,1H3,(H,25,26,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 387.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 22118868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).