7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C15H18N8O — CID 155976320

IUPAC7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(N2CCN(c3cc(C)nc4ncnn34)CC2)ncn1
InChIInChI=1S/C15H18N8O/c1-11-7-14(23-15(20-11)18-10-19-23)22-5-3-21(4-6-22)12-8-13(24-2)17-9-16-12/h7-10H,3-6H2,1-2H3
InChIKeyLRTBLQKLZXTOBN-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.56
Rot. Bonds3

About 7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 155976320) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID155976320
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(N2CCN(c3cc(C)nc4ncnn34)CC2)ncn1
InChIInChI=1S/C15H18N8O/c1-11-7-14(23-15(20-11)18-10-19-23)22-5-3-21(4-6-22)12-8-13(24-2)17-9-16-12/h7-10H,3-6H2,1-2H3
InChIKeyLRTBLQKLZXTOBN-UHFFFAOYSA-N
XLogP0.56
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 155976320) is 7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(N2CCN(c3cc(C)nc4ncnn34)CC2)ncn1.
What is the InChIKey of 7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LRTBLQKLZXTOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-11-7-14(23-15(20-11)18-10-19-23)22-5-3-21(4-6-22)12-8-13(24-2)17-9-16-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 326.36 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155976320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).