7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine

C14H17N7O — CID 66499202

IUPAC7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
SMILESCCc1nc2nnc(-c3ccnc(CCOC)n3)c(C)n2n1
InChIInChI=1S/C14H17N7O/c1-4-11-17-14-19-18-13(9(2)21(14)20-11)10-5-7-15-12(16-10)6-8-22-3/h5,7H,4,6,8H2,1-3H3
InChIKeyIOWROVCDAASXFC-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.04
Rot. Bonds5

About 7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine

7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine (PubChem CID 66499202) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine.

Molecular Properties

Compound Name7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
PubChem CID66499202
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
SMILESCCc1nc2nnc(-c3ccnc(CCOC)n3)c(C)n2n1
InChIInChI=1S/C14H17N7O/c1-4-11-17-14-19-18-13(9(2)21(14)20-11)10-5-7-15-12(16-10)6-8-22-3/h5,7H,4,6,8H2,1-3H3
InChIKeyIOWROVCDAASXFC-UHFFFAOYSA-N
XLogP1.04
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine?
The IUPAC name of 7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine (CID 66499202) is 7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine.
What is the SMILES notation for 7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine?
The canonical SMILES for 7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine is CCc1nc2nnc(-c3ccnc(CCOC)n3)c(C)n2n1.
What is the InChIKey of 7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine?
The InChIKey is IOWROVCDAASXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c1-4-11-17-14-19-18-13(9(2)21(14)20-11)10-5-7-15-12(16-10)6-8-22-3/h5,7H,4,6,8H2,1-3H3.
What are the key properties of 7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine?
7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine has a molecular weight of 299.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[2-(2-methoxyethyl)pyrimidin-4-yl]-4-methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine is sourced from PubChem (CID 66499202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).