3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine

C19H21N5 — CID 112948033

IUPAC3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1CNc1nncc(NC(C)c2ccccc2)n1
InChIInChI=1S/C19H21N5/c1-14-8-6-7-11-17(14)12-20-19-23-18(13-21-24-19)22-15(2)16-9-4-3-5-10-16/h3-11,13,15H,12H2,1-2H3,(H2,20,22,23,24)
InChIKeyCVQXUVJMMJPMBX-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.97
Rot. Bonds6

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

3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112948033) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112948033
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccccc1CNc1nncc(NC(C)c2ccccc2)n1
InChIInChI=1S/C19H21N5/c1-14-8-6-7-11-17(14)12-20-19-23-18(13-21-24-19)22-15(2)16-9-4-3-5-10-16/h3-11,13,15H,12H2,1-2H3,(H2,20,22,23,24)
InChIKeyCVQXUVJMMJPMBX-UHFFFAOYSA-N
XLogP3.97
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112915922
5-N-[3-(dimethylamino)propyl]-3-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112945423
5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112948202
3-N-(1-phenylethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949051
3-N-(2,6-dichlorophenyl)-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949025
ethyl 2-[[5-(1-phenylethylamino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112949030
5-N-[(2-methylphenyl)methyl]-3-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112947995
3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112948995
3-N-(1-phenylethyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112949082
3-N-[2-(4-chlorophenyl)ethyl]-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112947893
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908483
5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949106

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine (CID 112948033) is 3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine is Cc1ccccc1CNc1nncc(NC(C)c2ccccc2)n1.
What is the InChIKey of 3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is CVQXUVJMMJPMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-14-8-6-7-11-17(14)12-20-19-23-18(13-21-24-19)22-15(2)16-9-4-3-5-10-16/h3-11,13,15H,12H2,1-2H3,(H2,20,22,23,24).
What are the key properties of 3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112948033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).