3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine

C19H20ClN5O — CID 112938867

IUPAC3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Nc1cnnc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C19H20ClN5O/c1-13(2)22-18-11-21-25-19(24-18)23-16-7-9-17(10-8-16)26-12-14-3-5-15(20)6-4-14/h3-11,13H,12H2,1-2H3,(H2,22,23,24,25)
InChIKeyYNLPYXFVIJTLNT-UHFFFAOYSA-N
MW369.86 g/mol
LogP4.67
Rot. Bonds7

About 3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine

3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112938867) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112938867
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)Nc1cnnc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)n1
InChIInChI=1S/C19H20ClN5O/c1-13(2)22-18-11-21-25-19(24-18)23-16-7-9-17(10-8-16)26-12-14-3-5-15(20)6-4-14/h3-11,13H,12H2,1-2H3,(H2,22,23,24,25)
InChIKeyYNLPYXFVIJTLNT-UHFFFAOYSA-N
XLogP4.67
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940438
3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943828
5-N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-N-[2-(dimethylamino)ethyl]-1,2,4-triazine-3,5-diamine
CID 112945053
3-N-[(4-chlorophenyl)methyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938721
3-N-(4-chlorophenyl)-5-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951097
3-N-(4-chlorophenyl)-5-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964162
N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109575
methyl 4-[[5-(propan-2-ylamino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112938838
3-N-(2-fluorophenyl)-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965499
3-N-(2,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938870
3-N-(4-ethoxyphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967619
5-N-butan-2-yl-3-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112940784

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112938867) is 3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is CC(C)Nc1cnnc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)n1.
What is the InChIKey of 3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is YNLPYXFVIJTLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-13(2)22-18-11-21-25-19(24-18)23-16-7-9-17(10-8-16)26-12-14-3-5-15(20)6-4-14/h3-11,13H,12H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 369.86 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).