6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine

C10H15N7O — CID 80816721

IUPAC6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCc2cnn(C)c2)n1
InChIInChI=1S/C10H15N7O/c1-3-18-10-15-8(11)14-9(16-10)12-4-7-5-13-17(2)6-7/h5-6H,3-4H2,1-2H3,(H3,11,12,14,15,16)
InChIKeyDIPOAYZDTOVGSP-UHFFFAOYSA-N
MW249.28 g/mol
LogP0.20
Rot. Bonds5

About 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80816721) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID80816721
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCc2cnn(C)c2)n1
InChIInChI=1S/C10H15N7O/c1-3-18-10-15-8(11)14-9(16-10)12-4-7-5-13-17(2)6-7/h5-6H,3-4H2,1-2H3,(H3,11,12,14,15,16)
InChIKeyDIPOAYZDTOVGSP-UHFFFAOYSA-N
XLogP0.20
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N,2-N-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80816988
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 61351162
2-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,5-diamine
CID 61348476
2-N-[(3-chloro-4-fluorophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80832000
2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80794144
6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 103012620
6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66329179
6-ethoxy-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 114174672
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 80816721) is 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NCc2cnn(C)c2)n1.
What is the InChIKey of 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DIPOAYZDTOVGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-3-18-10-15-8(11)14-9(16-10)12-4-7-5-13-17(2)6-7/h5-6H,3-4H2,1-2H3,(H3,11,12,14,15,16).
What are the key properties of 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 249.28 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80816721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).