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

C19H22N6 — CID 112948390

IUPAC5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(CNc2nncc(N(C)CCc3ccncc3)n2)c1
InChIInChI=1S/C19H22N6/c1-15-4-3-5-17(12-15)13-21-19-23-18(14-22-24-19)25(2)11-8-16-6-9-20-10-7-16/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,21,23,24)
InChIKeyNRGPYQYVCOZZDY-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.87
Rot. Bonds7

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

5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112948390) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112948390
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
SMILESCc1cccc(CNc2nncc(N(C)CCc3ccncc3)n2)c1
InChIInChI=1S/C19H22N6/c1-15-4-3-5-17(12-15)13-21-19-23-18(14-22-24-19)25(2)11-8-16-6-9-20-10-7-16/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,21,23,24)
InChIKeyNRGPYQYVCOZZDY-UHFFFAOYSA-N
XLogP2.87
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(4-bromo-3-methylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954659
3-N-(3-bromo-4-methylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954624
5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112948446
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162
N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169760
5-N-ethyl-5-N-(3-methylphenyl)-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952466
3-N-(5-chloro-2-methoxyphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954622
3-N-[(3-methylphenyl)methyl]-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939503
2-N-[(4-fluorophenyl)methyl]-4-N,6-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112917625
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916211
5-N-(3,5-dimethylphenyl)-3-N-[(3-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948441
5-N-[(3-methylphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940479

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine (CID 112948390) is 5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine is Cc1cccc(CNc2nncc(N(C)CCc3ccncc3)n2)c1.
What is the InChIKey of 5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is NRGPYQYVCOZZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-15-4-3-5-17(12-15)13-21-19-23-18(14-22-24-19)25(2)11-8-16-6-9-20-10-7-16/h3-7,9-10,12,14H,8,11,13H2,1-2H3,(H,21,23,24).
What are the key properties of 5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 334.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112948390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).