6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine

C10H9ClFN5 — CID 24771329

IUPAC6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine
SMILES[H]/N=c1\nc(N)c(-c2cccc(Cl)c2F)nn1C
InChIInChI=1S/C10H9ClFN5/c1-17-10(14)15-9(13)8(16-17)5-3-2-4-6(11)7(5)12/h2-4H,1H3,(H3,13,14,15)
InChIKeyJDHKTFIZVUSVRS-UHFFFAOYSA-N
MW253.67 g/mol
LogP1.34
Rot. Bonds1

About 6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine

6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine (PubChem CID 24771329) has the molecular formula C10H9ClFN5 and a molecular weight of 253.67 g/mol. Its IUPAC name is 6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine
PubChem CID24771329
Molecular FormulaC10H9ClFN5
Molecular Weight253.67 g/mol
Exact Mass253.05
IUPAC Name6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine
SMILES[H]/N=c1\nc(N)c(-c2cccc(Cl)c2F)nn1C
InChIInChI=1S/C10H9ClFN5/c1-17-10(14)15-9(13)8(16-17)5-3-2-4-6(11)7(5)12/h2-4H,1H3,(H3,13,14,15)
InChIKeyJDHKTFIZVUSVRS-UHFFFAOYSA-N
XLogP1.34
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.67
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dichlorophenyl)-3-imino-2-prop-2-enyl-1,2,4-triazin-5-amine
CID 24771276
4-(3-chloro-2-fluorophenyl)-1-methyl-3-phenylpyrazol-5-amine
CID 82789468
6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
CID 24771439
3-tert-butyl-5-(3-chloro-2-fluorophenyl)imidazol-4-amine
CID 114488561
4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine
CID 114488623
5-(3-chloro-2-fluorophenyl)-3-methyl-2-propylimidazol-4-amine
CID 114488583
3-(3-chloro-2-fluorophenyl)-4-(difluoromethyl)-1-methylpyrazole
CID 165486429
4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118931
3-(3-chloro-2-fluorophenyl)-4-methyl-1-phenylpyrazol-5-amine
CID 81267627
3-butyl-5-(3-chloro-2-fluorophenyl)-2-propylimidazol-4-amine
CID 114488589
5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 114488594
6-chloro-2-(3-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 114488847

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine (CID 24771329) is 6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine is [H]/N=c1\nc(N)c(-c2cccc(Cl)c2F)nn1C.
What is the InChIKey of 6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine?
The InChIKey is JDHKTFIZVUSVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN5/c1-17-10(14)15-9(13)8(16-17)5-3-2-4-6(11)7(5)12/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine?
6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine has a molecular weight of 253.67 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-fluorophenyl)-3-imino-2-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 24771329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).