3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine

C19H22N6 — CID 112948995

IUPAC3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESCC(Nc1cnnc(Nc2ccc(N(C)C)cc2)n1)c1ccccc1
InChIInChI=1S/C19H22N6/c1-14(15-7-5-4-6-8-15)21-18-13-20-24-19(23-18)22-16-9-11-17(12-10-16)25(2)3/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyDHFPOHFGDRIDNS-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.85
Rot. Bonds6

About 3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine

3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112948995) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112948995
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESCC(Nc1cnnc(Nc2ccc(N(C)C)cc2)n1)c1ccccc1
InChIInChI=1S/C19H22N6/c1-14(15-7-5-4-6-8-15)21-18-13-20-24-19(23-18)22-16-9-11-17(12-10-16)25(2)3/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyDHFPOHFGDRIDNS-UHFFFAOYSA-N
XLogP3.85
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-N-[4-(dimethylamino)phenyl]-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964649
3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949025
5-N-(4-bromophenyl)-3-N-[4-(dimethylamino)phenyl]-1,2,4-triazine-3,5-diamine
CID 112966989
3-N-[4-(dimethylamino)phenyl]-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963520
3-N-[4-(dimethylamino)phenyl]-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967216
3-N-[4-(dimethylamino)phenyl]-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112968881
3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112948033
3-N-[4-(dimethylamino)phenyl]-5-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953468
3-N-[4-(dimethylamino)phenyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950843
5-N-[4-(dimethylamino)phenyl]-3-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112968809
5-N-butan-2-yl-3-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112940808
5-N-(3-chloro-4-fluorophenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949132

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine (CID 112948995) is 3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine is CC(Nc1cnnc(Nc2ccc(N(C)C)cc2)n1)c1ccccc1.
What is the InChIKey of 3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is DHFPOHFGDRIDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-14(15-7-5-4-6-8-15)21-18-13-20-24-19(23-18)22-16-9-11-17(12-10-16)25(2)3/h4-14H,1-3H3,(H2,21,22,23,24).
What are the key properties of 3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 334.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112948995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).