4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one

C10H10ClN5O — CID 737019

IUPAC4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccc(Cl)cc2)n(N)c1=O
InChIInChI=1S/C10H10ClN5O/c1-6-9(17)16(12)10(15-14-6)13-8-4-2-7(11)3-5-8/h2-5H,12H2,1H3,(H,13,15)
InChIKeyCRHBLCIHJHRXRQ-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.06
Rot. Bonds2

About 4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one

4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one (PubChem CID 737019) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one
PubChem CID737019
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one
SMILESCc1nnc(Nc2ccc(Cl)cc2)n(N)c1=O
InChIInChI=1S/C10H10ClN5O/c1-6-9(17)16(12)10(15-14-6)13-8-4-2-7(11)3-5-8/h2-5H,12H2,1H3,(H,13,15)
InChIKeyCRHBLCIHJHRXRQ-UHFFFAOYSA-N
XLogP1.06
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
4-Amino-3-[(4-chlorophenyl)amino]-1,2,4-triazin-5-one
CID 1512358
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778
2-(4-chloro-anilino)-6-methyl-3H-pyrimidin-4-one
CID 135488566
2-(3-chloroanilino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 23724081
4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one
CID 737018
1-Acetyl-4-(4-CL phenyl) semicarbazide
CID 86934
3-[(3-Chloro-4-fluorophenyl)amino]-6-methyl-1,2,4-triazin-5-ol
CID 135656390
2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 4395418
7-(4-chloroanilino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-one
CID 53391552
7-(3-chloroanilino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-one
CID 53391553
3-((3,5-dichlorophenyl)amino)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135464397

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one (CID 737019) is 4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one is Cc1nnc(Nc2ccc(Cl)cc2)n(N)c1=O.
What is the InChIKey of 4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one?
The InChIKey is CRHBLCIHJHRXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-6-9(17)16(12)10(15-14-6)13-8-4-2-7(11)3-5-8/h2-5H,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one?
4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one has a molecular weight of 251.68 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one is sourced from PubChem (CID 737019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).