3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine

C9H12N4 — CID 22948399

IUPAC3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1nc2nnc(C)n2c(C)c1C
InChIInChI=1S/C9H12N4/c1-5-6(2)10-9-12-11-8(4)13(9)7(5)3/h1-4H3
InChIKeyJBVSAPUBZCGZTF-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.36
Rot. Bonds

About 3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine

3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 22948399) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID22948399
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1nc2nnc(C)n2c(C)c1C
InChIInChI=1S/C9H12N4/c1-5-6(2)10-9-12-11-8(4)13(9)7(5)3/h1-4H3
InChIKeyJBVSAPUBZCGZTF-UHFFFAOYSA-N
XLogP1.36
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine (CID 22948399) is 3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine is Cc1nc2nnc(C)n2c(C)c1C.
What is the InChIKey of 3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is JBVSAPUBZCGZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-5-6(2)10-9-12-11-8(4)13(9)7(5)3/h1-4H3.
What are the key properties of 3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine?
3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 176.22 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetramethyl-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 22948399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).