5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine

C17H16FN5O — CID 95189481

IUPAC5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine
SMILESC[C@H](CNc1nncc(-c2ccccc2F)n1)Oc1cccnc1
InChIInChI=1S/C17H16FN5O/c1-12(24-13-5-4-8-19-10-13)9-20-17-22-16(11-21-23-17)14-6-2-3-7-15(14)18/h2-8,10-12H,9H2,1H3,(H,20,22,23)/t12-/m1/s1
InChIKeyHJJFZVDNTUKBRL-GFCCVEGCSA-N
MW325.35 g/mol
LogP2.95
Rot. Bonds6

About 5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine

5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine (PubChem CID 95189481) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine
PubChem CID95189481
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine
SMILESC[C@H](CNc1nncc(-c2ccccc2F)n1)Oc1cccnc1
InChIInChI=1S/C17H16FN5O/c1-12(24-13-5-4-8-19-10-13)9-20-17-22-16(11-21-23-17)14-6-2-3-7-15(14)18/h2-8,10-12H,9H2,1H3,(H,20,22,23)/t12-/m1/s1
InChIKeyHJJFZVDNTUKBRL-GFCCVEGCSA-N
XLogP2.95
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine (CID 95189481) is 5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine is C[C@H](CNc1nncc(-c2ccccc2F)n1)Oc1cccnc1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine?
The InChIKey is HJJFZVDNTUKBRL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-12(24-13-5-4-8-19-10-13)9-20-17-22-16(11-21-23-17)14-6-2-3-7-15(14)18/h2-8,10-12H,9H2,1H3,(H,20,22,23)/t12-/m1/s1.
What are the key properties of 5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine?
5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine has a molecular weight of 325.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 95189481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).