6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine

C17H15Cl2N5O — CID 24771439

IUPAC6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
SMILES[H]/N=c1\nc(N)c(-c2cccc(Cl)c2Cl)nn1Cc1ccc(OC)cc1
InChIInChI=1S/C17H15Cl2N5O/c1-25-11-7-5-10(6-8-11)9-24-17(21)22-16(20)15(23-24)12-3-2-4-13(18)14(12)19/h2-8H,9H2,1H3,(H3,20,21,22)
InChIKeyCVRCBZXBNDNBMO-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.37
Rot. Bonds4

About 6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine

6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine (PubChem CID 24771439) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
PubChem CID24771439
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Name6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine
SMILES[H]/N=c1\nc(N)c(-c2cccc(Cl)c2Cl)nn1Cc1ccc(OC)cc1
InChIInChI=1S/C17H15Cl2N5O/c1-25-11-7-5-10(6-8-11)9-24-17(21)22-16(20)15(23-24)12-3-2-4-13(18)14(12)19/h2-8H,9H2,1H3,(H3,20,21,22)
InChIKeyCVRCBZXBNDNBMO-UHFFFAOYSA-N
XLogP3.37
TPSA89.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine?
The IUPAC name of 6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine (CID 24771439) is 6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine is [H]/N=c1\nc(N)c(-c2cccc(Cl)c2Cl)nn1Cc1ccc(OC)cc1.
What is the InChIKey of 6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine?
The InChIKey is CVRCBZXBNDNBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c1-25-11-7-5-10(6-8-11)9-24-17(21)22-16(20)15(23-24)12-3-2-4-13(18)14(12)19/h2-8H,9H2,1H3,(H3,20,21,22).
What are the key properties of 6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine?
6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine has a molecular weight of 376.25 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-3-imino-2-[(4-methoxyphenyl)methyl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 24771439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).