3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C17H18FN7O — CID 56595690

IUPAC3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2cc(N3CCOCC3)ccc2F)nn1-c1ccccn1
InChIInChI=1S/C17H18FN7O/c18-13-5-4-12(24-7-9-26-10-8-24)11-14(13)21-17-22-16(19)25(23-17)15-3-1-2-6-20-15/h1-6,11H,7-10H2,(H3,19,21,22,23)
InChIKeyGXJJTQDCWLONOL-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.96
Rot. Bonds4

About 3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 56595690) has the molecular formula C17H18FN7O and a molecular weight of 355.38 g/mol. Its IUPAC name is 3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
PubChem CID56595690
Molecular FormulaC17H18FN7O
Molecular Weight355.38 g/mol
Exact Mass355.16
IUPAC Name3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
SMILESNc1nc(Nc2cc(N3CCOCC3)ccc2F)nn1-c1ccccn1
InChIInChI=1S/C17H18FN7O/c18-13-5-4-12(24-7-9-26-10-8-24)11-14(13)21-17-22-16(19)25(23-17)15-3-1-2-6-20-15/h1-6,11H,7-10H2,(H3,19,21,22,23)
InChIKeyGXJJTQDCWLONOL-UHFFFAOYSA-N
XLogP1.96
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 56595690) is 3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is Nc1nc(Nc2cc(N3CCOCC3)ccc2F)nn1-c1ccccn1.
What is the InChIKey of 3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
The InChIKey is GXJJTQDCWLONOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O/c18-13-5-4-12(24-7-9-26-10-8-24)11-14(13)21-17-22-16(19)25(23-17)15-3-1-2-6-20-15/h1-6,11H,7-10H2,(H3,19,21,22,23).
What are the key properties of 3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?
3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 355.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-fluoro-5-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 56595690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).