5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine

C15H21N5O — CID 112943387

IUPAC5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOCCNc1cnnc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C15H21N5O/c1-11(2)12-6-4-5-7-13(12)18-15-19-14(10-17-20-15)16-8-9-21-3/h4-7,10-11H,8-9H2,1-3H3,(H2,16,18,19,20)
InChIKeyCVRFNIFWODHSAG-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.80
Rot. Bonds7

About 5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine

5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112943387) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112943387
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOCCNc1cnnc(Nc2ccccc2C(C)C)n1
InChIInChI=1S/C15H21N5O/c1-11(2)12-6-4-5-7-13(12)18-15-19-14(10-17-20-15)16-8-9-21-3/h4-7,10-11H,8-9H2,1-3H3,(H2,16,18,19,20)
InChIKeyCVRFNIFWODHSAG-UHFFFAOYSA-N
XLogP2.80
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(3-methoxypropyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112943940
4-N-(2-methoxyethyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112885753
2-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112943470
5-N-(2-methoxyethyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112943370
3-N-[2-(4-methoxyphenoxy)ethyl]-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112958758
5-N-propan-2-yl-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112938796
3-N-(2-methoxyethyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112943601
5-N-(2-methylphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961753
3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943782
3-N-(2,6-difluorophenyl)-5-N-(2-methoxyethyl)-1,2,4-triazine-3,5-diamine
CID 112943475
3-N-tert-butyl-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112959041
5-N-(3-methoxyphenyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964700

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine (CID 112943387) is 5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine is COCCNc1cnnc(Nc2ccccc2C(C)C)n1.
What is the InChIKey of 5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is CVRFNIFWODHSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(2)12-6-4-5-7-13(12)18-15-19-14(10-17-20-15)16-8-9-21-3/h4-7,10-11H,8-9H2,1-3H3,(H2,16,18,19,20).
What are the key properties of 5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 287.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112943387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).