3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine

C17H16ClN5 — CID 112962383

IUPAC3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCc1c(Cl)cccc1Nc1nncc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H16ClN5/c1-12-14(18)9-6-10-15(12)20-17-21-16(11-19-22-17)23(2)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,20,21,22)
InChIKeyGMERSTMMGQDYRZ-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.34
Rot. Bonds4

About 3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine

3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112962383) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112962383
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCc1c(Cl)cccc1Nc1nncc(N(C)c2ccccc2)n1
InChIInChI=1S/C17H16ClN5/c1-12-14(18)9-6-10-15(12)20-17-21-16(11-19-22-17)23(2)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,20,21,22)
InChIKeyGMERSTMMGQDYRZ-UHFFFAOYSA-N
XLogP4.34
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

5-N-butyl-3-N-(3-chloro-2-methylphenyl)-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112960060
3-N-(5-chloro-2-methoxyphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962390
3-N-(3-chloro-2-methylphenyl)-5-N-[4-(dimethylamino)phenyl]-1,2,4-triazine-3,5-diamine
CID 112966230
5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962373
5-N-(3-chloro-2-methylphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961869
3-N-(3-chloro-2-methylphenyl)-5-N-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966249
3-N-(2-bromophenyl)-5-N-(3-chloro-2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966177
N-(3-chloro-2-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941152
3-N-(3-chloro-2-methylphenyl)-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112966212
N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112962410
methyl 4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112962413
N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127162

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112962383) is 3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine is Cc1c(Cl)cccc1Nc1nncc(N(C)c2ccccc2)n1.
What is the InChIKey of 3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is GMERSTMMGQDYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-12-14(18)9-6-10-15(12)20-17-21-16(11-19-22-17)23(2)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,20,21,22).
What are the key properties of 3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine?
3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 325.80 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112962383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).