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

C14H16ClN5O2 — CID 135634753

IUPAC6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NN2CCOCC2)nnc1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN5O2/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)
InChIKeyBZFNUUGLBHPPAH-UHFFFAOYSA-N
MW321.77 g/mol
LogP1.07
Rot. Bonds4

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

6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135634753) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one
PubChem CID135634753
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NN2CCOCC2)nnc1Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN5O2/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)
InChIKeyBZFNUUGLBHPPAH-UHFFFAOYSA-N
XLogP1.07
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one (CID 135634753) is 6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one is O=c1[nH]c(NN2CCOCC2)nnc1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is BZFNUUGLBHPPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/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-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one?
6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 321.77 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-3-(morpholin-4-ylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135634753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).