6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one

C14H16FN5O2 — CID 135686511

IUPAC6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NN2CCOCC2)nnc1Cc1ccc(F)cc1
InChIInChI=1S/C14H16FN5O2/c15-11-3-1-10(2-4-11)9-12-13(21)16-14(18-17-12)19-20-5-7-22-8-6-20/h1-4H,5-9H2,(H2,16,18,19,21)
InChIKeyAJVNHCBRRWMVKK-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.55
Rot. Bonds4

About 6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one

6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135686511) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one
PubChem CID135686511
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Name6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NN2CCOCC2)nnc1Cc1ccc(F)cc1
InChIInChI=1S/C14H16FN5O2/c15-11-3-1-10(2-4-11)9-12-13(21)16-14(18-17-12)19-20-5-7-22-8-6-20/h1-4H,5-9H2,(H2,16,18,19,21)
InChIKeyAJVNHCBRRWMVKK-UHFFFAOYSA-N
XLogP0.55
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one (CID 135686511) is 6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one is O=c1[nH]c(NN2CCOCC2)nnc1Cc1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is AJVNHCBRRWMVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c15-11-3-1-10(2-4-11)9-12-13(21)16-14(18-17-12)19-20-5-7-22-8-6-20/h1-4H,5-9H2,(H2,16,18,19,21).
What are the key properties of 6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 305.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135686511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).