3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine

C10H15N7 — CID 7424099

IUPAC3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
SMILESCN1CCN(c2ncnc3c2nnn3C)CC1
InChIInChI=1S/C10H15N7/c1-15-3-5-17(6-4-15)10-8-9(11-7-12-10)16(2)14-13-8/h7H,3-6H2,1-2H3
InChIKeyJGSMJPSWSKXUMC-UHFFFAOYSA-N
MW233.28 g/mol
LogP-0.49
Rot. Bonds1

About 3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine

3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine (PubChem CID 7424099) has the molecular formula C10H15N7 and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
PubChem CID7424099
Molecular FormulaC10H15N7
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
SMILESCN1CCN(c2ncnc3c2nnn3C)CC1
InChIInChI=1S/C10H15N7/c1-15-3-5-17(6-4-15)10-8-9(11-7-12-10)16(2)14-13-8/h7H,3-6H2,1-2H3
InChIKeyJGSMJPSWSKXUMC-UHFFFAOYSA-N
XLogP-0.49
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine?
The IUPAC name of 3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine (CID 7424099) is 3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine is CN1CCN(c2ncnc3c2nnn3C)CC1.
What is the InChIKey of 3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine?
The InChIKey is JGSMJPSWSKXUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7/c1-15-3-5-17(6-4-15)10-8-9(11-7-12-10)16(2)14-13-8/h7H,3-6H2,1-2H3.
What are the key properties of 3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine?
3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine has a molecular weight of 233.28 g/mol, XLogP of -0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 7424099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).