5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine

C18H27N5O2 — CID 112956312

IUPAC5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1nncc(NCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C18H27N5O2/c1-5-9-23(10-6-2)18-21-17(13-20-22-18)19-12-14-7-8-15(24-3)16(11-14)25-4/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,19,21,22)
InChIKeyVGCLFMHROPXYCA-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.13
Rot. Bonds10

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

5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine (PubChem CID 112956312) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
PubChem CID112956312
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1nncc(NCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C18H27N5O2/c1-5-9-23(10-6-2)18-21-17(13-20-22-18)19-12-14-7-8-15(24-3)16(11-14)25-4/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,19,21,22)
InChIKeyVGCLFMHROPXYCA-UHFFFAOYSA-N
XLogP3.13
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-N-benzyl-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112947577
5-N-(1,3-benzodioxol-5-ylmethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112951342
3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938348
6-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112874976
5-N-(2-methoxyethyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112943365
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112956329
5-N-[2-(4-fluorophenyl)ethyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112953666
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112956355
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937591
3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954340
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112956351
N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide
CID 109309886

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine (CID 112956312) is 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine is CCCN(CCC)c1nncc(NCc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
The InChIKey is VGCLFMHROPXYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-5-9-23(10-6-2)18-21-17(13-20-22-18)19-12-14-7-8-15(24-3)16(11-14)25-4/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,19,21,22).
What are the key properties of 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine?
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine has a molecular weight of 345.45 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112956312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).