3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine

C18H17Cl2N5O — CID 112967800

IUPAC3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)Oc1ccccc1Nc1cnnc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C18H17Cl2N5O/c1-11(2)26-16-6-4-3-5-15(16)23-17-10-21-25-18(24-17)22-14-8-12(19)7-13(20)9-14/h3-11H,1-2H3,(H2,22,23,24,25)
InChIKeyFQCOAPBHVCVZNR-UHFFFAOYSA-N
MW390.27 g/mol
LogP5.45
Rot. Bonds6

About 3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine

3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112967800) has the molecular formula C18H17Cl2N5O and a molecular weight of 390.27 g/mol. Its IUPAC name is 3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112967800
Molecular FormulaC18H17Cl2N5O
Molecular Weight390.27 g/mol
Exact Mass389.08
IUPAC Name3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCC(C)Oc1ccccc1Nc1cnnc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C18H17Cl2N5O/c1-11(2)26-16-6-4-3-5-15(16)23-17-10-21-25-18(24-17)22-14-8-12(19)7-13(20)9-14/h3-11H,1-2H3,(H2,22,23,24,25)
InChIKeyFQCOAPBHVCVZNR-UHFFFAOYSA-N
XLogP5.45
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.27
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

5-N-(2-propan-2-yloxyphenyl)-3-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964848
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967843
3-[[5-(2-propan-2-yloxyanilino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112967806
methyl 4-[[5-(2-propan-2-yloxyanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112967786
5-N-(2-propan-2-yloxyphenyl)-3-N-[2-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112967777
5-N-(2,5-dimethoxyphenyl)-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967814
1-[4-[[3-(2-propan-2-yloxyanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112967821
3-N-(2-propan-2-yloxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112967833
3-N-cyclopentyl-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112941742
3-N-(2-methoxyethyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112943601
5-N-(2-methoxyphenyl)-3-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967104
3-N-(2,4-dichlorophenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967110

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine (CID 112967800) is 3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine is CC(C)Oc1ccccc1Nc1cnnc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is FQCOAPBHVCVZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O/c1-11(2)26-16-6-4-3-5-15(16)23-17-10-21-25-18(24-17)22-14-8-12(19)7-13(20)9-14/h3-11H,1-2H3,(H2,22,23,24,25).
What are the key properties of 3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine?
3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 390.27 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112967800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).