4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one

C10H9ClN4O2 — CID 21387763

IUPAC4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one
SMILESCOc1nnc(-c2ccc(Cl)cc2)c(=O)n1N
InChIInChI=1S/C10H9ClN4O2/c1-17-10-14-13-8(9(16)15(10)12)6-2-4-7(11)5-3-6/h2-5H,12H2,1H3
InChIKeyMQVVWAURDILWRM-UHFFFAOYSA-N
MW252.66 g/mol
LogP0.68
Rot. Bonds2

About 4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one

4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one (PubChem CID 21387763) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one
PubChem CID21387763
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one
SMILESCOc1nnc(-c2ccc(Cl)cc2)c(=O)n1N
InChIInChI=1S/C10H9ClN4O2/c1-17-10-14-13-8(9(16)15(10)12)6-2-4-7(11)5-3-6/h2-5H,12H2,1H3
InChIKeyMQVVWAURDILWRM-UHFFFAOYSA-N
XLogP0.68
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one (CID 21387763) is 4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one is COc1nnc(-c2ccc(Cl)cc2)c(=O)n1N.
What is the InChIKey of 4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one?
The InChIKey is MQVVWAURDILWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-17-10-14-13-8(9(16)15(10)12)6-2-4-7(11)5-3-6/h2-5H,12H2,1H3.
What are the key properties of 4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one?
4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one has a molecular weight of 252.66 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-chlorophenyl)-3-methoxy-1,2,4-triazin-5-one is sourced from PubChem (CID 21387763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).