4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one

C10H10ClN5O — CID 23412436

IUPAC4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one
SMILESNn1c(NCc2ccc(Cl)cc2)nncc1=O
InChIInChI=1S/C10H10ClN5O/c11-8-3-1-7(2-4-8)5-13-10-15-14-6-9(17)16(10)12/h1-4,6H,5,12H2,(H,13,15)
InChIKeyBDNPJEFWKCTQHR-UHFFFAOYSA-N
MW251.68 g/mol
LogP0.62
Rot. Bonds3

About 4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one

4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one (PubChem CID 23412436) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one
PubChem CID23412436
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one
SMILESNn1c(NCc2ccc(Cl)cc2)nncc1=O
InChIInChI=1S/C10H10ClN5O/c11-8-3-1-7(2-4-8)5-13-10-15-14-6-9(17)16(10)12/h1-4,6H,5,12H2,(H,13,15)
InChIKeyBDNPJEFWKCTQHR-UHFFFAOYSA-N
XLogP0.62
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one
CID 7196836
N-[(4-chlorophenyl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
CID 60981108
N-[(4-chlorophenyl)methyl]-2H-tetrazol-5-amine
CID 961582
6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 112722784
N-[(4-chlorophenyl)methyl]cinnolin-4-amine
CID 63586924
4-amino-6-methyl-3-(pyridin-4-ylmethylamino)-1,2,4-triazin-5-one
CID 23412465
1-[[4-[[(6-chloropyridazin-4-yl)amino]methyl]phenyl]methyl]pyridin-2-one
CID 165134264
N-[(4-chlorophenyl)methyl]-1-methylimidazol-2-amine;trihydrochloride
CID 76853743
4-[3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946493
3-N-[(4-chlorophenyl)methyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938721
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791679
4-bromo-5-[(4-chlorophenyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114431125

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one (CID 23412436) is 4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one is Nn1c(NCc2ccc(Cl)cc2)nncc1=O.
What is the InChIKey of 4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one?
The InChIKey is BDNPJEFWKCTQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c11-8-3-1-7(2-4-8)5-13-10-15-14-6-9(17)16(10)12/h1-4,6H,5,12H2,(H,13,15).
What are the key properties of 4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one?
4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one has a molecular weight of 251.68 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-chlorophenyl)methylamino]-1,2,4-triazin-5-one is sourced from PubChem (CID 23412436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).