5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine

C17H16FN5O — CID 112949633

IUPAC5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccccc1Nc1nncc(NCc2ccccc2F)n1
InChIInChI=1S/C17H16FN5O/c1-24-15-9-5-4-8-14(15)21-17-22-16(11-20-23-17)19-10-12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H2,19,21,22,23)
InChIKeyRGJKRBLOMFESDD-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.38
Rot. Bonds6

About 5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine

5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112949633) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112949633
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccccc1Nc1nncc(NCc2ccccc2F)n1
InChIInChI=1S/C17H16FN5O/c1-24-15-9-5-4-8-14(15)21-17-22-16(11-20-23-17)19-10-12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H2,19,21,22,23)
InChIKeyRGJKRBLOMFESDD-UHFFFAOYSA-N
XLogP3.38
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine (CID 112949633) is 5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine is COc1ccccc1Nc1nncc(NCc2ccccc2F)n1.
What is the InChIKey of 5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is RGJKRBLOMFESDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-24-15-9-5-4-8-14(15)21-17-22-16(11-20-23-17)19-10-12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H2,19,21,22,23).
What are the key properties of 5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 325.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-fluorophenyl)methyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112949633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).