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

C11H17N7O — CID 103012620

IUPAC6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCCc2ccnn2C)n1
InChIInChI=1S/C11H17N7O/c1-3-19-11-16-9(12)15-10(17-11)13-6-4-8-5-7-14-18(8)2/h5,7H,3-4,6H2,1-2H3,(H3,12,13,15,16,17)
InChIKeyUAYPYBPIKQETFL-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.24
Rot. Bonds6

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

6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 103012620) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID103012620
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(NCCc2ccnn2C)n1
InChIInChI=1S/C11H17N7O/c1-3-19-11-16-9(12)15-10(17-11)13-6-4-8-5-7-14-18(8)2/h5,7H,3-4,6H2,1-2H3,(H3,12,13,15,16,17)
InChIKeyUAYPYBPIKQETFL-UHFFFAOYSA-N
XLogP0.24
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N,2-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 103012622
4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 103012354
4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
CID 103007614
2-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 103004407
6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106412361
6-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 104695947
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772035
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80816721
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788
5-chloro-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 103012638
6-ethoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80832748
2-ethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 104925404

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 103012620) is 6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(NCCc2ccnn2C)n1.
What is the InChIKey of 6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UAYPYBPIKQETFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-3-19-11-16-9(12)15-10(17-11)13-6-4-8-5-7-14-18(8)2/h5,7H,3-4,6H2,1-2H3,(H3,12,13,15,16,17).
What are the key properties of 6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 263.31 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 103012620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).