7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C14H15N5O — CID 3070763

IUPAC7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOc1ccc(-c2cnn3c(C(C)C)nnc3n2)cc1
InChIInChI=1S/C14H15N5O/c1-9(2)13-17-18-14-16-12(8-15-19(13)14)10-4-6-11(20-3)7-5-10/h4-9H,1-3H3
InChIKeyFIOPOFGFMYGSLQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.32
Rot. Bonds3

About 7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine

7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 3070763) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID3070763
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCOc1ccc(-c2cnn3c(C(C)C)nnc3n2)cc1
InChIInChI=1S/C14H15N5O/c1-9(2)13-17-18-14-16-12(8-15-19(13)14)10-4-6-11(20-3)7-5-10/h4-9H,1-3H3
InChIKeyFIOPOFGFMYGSLQ-UHFFFAOYSA-N
XLogP2.32
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 3070763) is 7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is COc1ccc(-c2cnn3c(C(C)C)nnc3n2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is FIOPOFGFMYGSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9(2)13-17-18-14-16-12(8-15-19(13)14)10-4-6-11(20-3)7-5-10/h4-9H,1-3H3.
What are the key properties of 7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 269.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 3070763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).