3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine

C19H21N5O — CID 112949376

IUPAC3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(CNc2cnnc(N(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-24(14-16-6-4-3-5-7-16)19-22-18(13-21-23-19)20-12-15-8-10-17(25-2)11-9-15/h3-11,13H,12,14H2,1-2H3,(H,20,22,23)
InChIKeyIQRGOTLDYRBGDD-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.13
Rot. Bonds7

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

3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine (PubChem CID 112949376) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
PubChem CID112949376
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(CNc2cnnc(N(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-24(14-16-6-4-3-5-7-16)19-22-18(13-21-23-19)20-12-15-8-10-17(25-2)11-9-15/h3-11,13H,12,14H2,1-2H3,(H,20,22,23)
InChIKeyIQRGOTLDYRBGDD-UHFFFAOYSA-N
XLogP3.13
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

3-N-benzyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949388
3-N-benzyl-5-N-(4-methoxyphenyl)-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949471
3-N-benzyl-5-N-tert-butyl-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949416
3-N-benzyl-3-N-ethyl-5-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949867
5-N-[(4-fluorophenyl)methyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112949922
5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112947577
3-N-benzyl-5-N-[(2-methoxyphenyl)methyl]-3-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112950773
5-N-[(4-methoxyphenyl)methyl]-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112951026
2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109256748
3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112954374
5-N-[(4-fluorophenyl)methyl]-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949865
3-N-(3-methoxyphenyl)-5-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112951108

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine (CID 112949376) is 3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine is COc1ccc(CNc2cnnc(N(C)Cc3ccccc3)n2)cc1.
What is the InChIKey of 3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine?
The InChIKey is IQRGOTLDYRBGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24(14-16-6-4-3-5-7-16)19-22-18(13-21-23-19)20-12-15-8-10-17(25-2)11-9-15/h3-11,13H,12,14H2,1-2H3,(H,20,22,23).
What are the key properties of 3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine?
3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine has a molecular weight of 335.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112949376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).