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

C15H21N5O2 — CID 112938348

IUPAC3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1cnnc(NCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H21N5O2/c1-4-7-16-14-10-18-20-15(19-14)17-9-11-5-6-12(21-2)13(8-11)22-3/h5-6,8,10H,4,7,9H2,1-3H3,(H2,16,17,19,20)
InChIKeyMDBJPDXDXJSMHT-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.32
Rot. Bonds8

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

3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine (PubChem CID 112938348) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
PubChem CID112938348
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1cnnc(NCc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C15H21N5O2/c1-4-7-16-14-10-18-20-15(19-14)17-9-11-5-6-12(21-2)13(8-11)22-3/h5-6,8,10H,4,7,9H2,1-3H3,(H2,16,17,19,20)
InChIKeyMDBJPDXDXJSMHT-UHFFFAOYSA-N
XLogP2.32
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112956329
3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112956434
5-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112942979
5-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940509
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112956355
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112956312
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112956351
3-N-butan-2-yl-5-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112940896
methyl 4-[[3-[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazin-5-yl]amino]benzoate
CID 112956449
5-N-[(4-fluorophenyl)methyl]-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938520
3-N-(3-chlorophenyl)-5-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112956342

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine (CID 112938348) is 3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine is CCCNc1cnnc(NCc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine?
The InChIKey is MDBJPDXDXJSMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-4-7-16-14-10-18-20-15(19-14)17-9-11-5-6-12(21-2)13(8-11)22-3/h5-6,8,10H,4,7,9H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine?
3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine has a molecular weight of 303.37 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).