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

C19H21N5 — CID 112948202

IUPAC5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(CNc2cnnc(NC(C)c3ccccc3)n2)c1
InChIInChI=1S/C19H21N5/c1-14-7-6-8-16(11-14)12-20-18-13-21-24-19(23-18)22-15(2)17-9-4-3-5-10-17/h3-11,13,15H,12H2,1-2H3,(H2,20,22,23,24)
InChIKeyPJOJKCJRSJWUNP-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.97
Rot. Bonds6

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

5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112948202) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112948202
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(CNc2cnnc(NC(C)c3ccccc3)n2)c1
InChIInChI=1S/C19H21N5/c1-14-7-6-8-16(11-14)12-20-18-13-21-24-19(23-18)22-15(2)17-9-4-3-5-10-17/h3-11,13,15H,12H2,1-2H3,(H2,20,22,23,24)
InChIKeyPJOJKCJRSJWUNP-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

5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940479
3-N-(1-phenylethyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949051
3-N-(1-phenylethyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112949082
5-N-(2,4-dimethylphenyl)-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112949106
3-N-[(3-methylphenyl)methyl]-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939503
2-N-tert-butyl-6-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916103
6-methyl-2-N-(1-phenylethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916762
5-N-(3,5-dimethylphenyl)-3-N-[(3-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948441
3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112948033
3-N-(2-methoxy-5-methylphenyl)-5-N-[(3-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948307
5-N-benzyl-3-N-(2,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112947589
N-[(3-methylphenyl)methyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109255805

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine (CID 112948202) is 5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine is Cc1cccc(CNc2cnnc(NC(C)c3ccccc3)n2)c1.
What is the InChIKey of 5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is PJOJKCJRSJWUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-14-7-6-8-16(11-14)12-20-18-13-21-24-19(23-18)22-15(2)17-9-4-3-5-10-17/h3-11,13,15H,12H2,1-2H3,(H2,20,22,23,24).
What are the key properties of 5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine?
5-N-[(3-methylphenyl)methyl]-3-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 5-N-[(3-methylphenyl)methyl]-3-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112948202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).