5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine

C15H12FN5 — CID 25275557

IUPAC5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
SMILESFc1ccc(-c2cnnc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C15H12FN5/c16-13-3-1-12(2-4-13)14-10-19-21-15(20-14)18-9-11-5-7-17-8-6-11/h1-8,10H,9H2,(H,18,20,21)
InChIKeyZVBQNEBBVJBTRF-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.68
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine

5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 25275557) has the molecular formula C15H12FN5 and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID25275557
Molecular FormulaC15H12FN5
Molecular Weight281.29 g/mol
Exact Mass281.11
IUPAC Name5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
SMILESFc1ccc(-c2cnnc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C15H12FN5/c16-13-3-1-12(2-4-13)14-10-19-21-15(20-14)18-9-11-5-7-17-8-6-11/h1-8,10H,9H2,(H,18,20,21)
InChIKeyZVBQNEBBVJBTRF-UHFFFAOYSA-N
XLogP2.68
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 45247421
3-N-benzyl-5-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947704
5-N-tert-butyl-3-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950065
5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 114383127
5-N-butyl-3-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112939909
3-N-prop-2-enyl-5-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112939713
N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941063
5-N-[(4-fluorophenyl)methyl]-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938520
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 112952675
5-N-[(4-fluorophenyl)methyl]-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949865
3-N-[(4-fluorophenyl)methyl]-5-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112950131
3-N-(2-fluorophenyl)-5-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952545

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine (CID 25275557) is 5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine is Fc1ccc(-c2cnnc(NCc3ccncc3)n2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is ZVBQNEBBVJBTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5/c16-13-3-1-12(2-4-13)14-10-19-21-15(20-14)18-9-11-5-7-17-8-6-11/h1-8,10H,9H2,(H,18,20,21).
What are the key properties of 5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine?
5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 281.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 25275557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).