3-methyltriazolo[1,5-a]pyrimidine

C6H6N4 — CID 134553106

IUPAC3-methyltriazolo[1,5-a]pyrimidine
SMILESCc1nnn2cccnc12
InChIInChI=1S/C6H6N4/c1-5-6-7-3-2-4-10(6)9-8-5/h2-4H,1H3
InChIKeyRPVNENVGXQQRAF-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.43
Rot. Bonds

About 3-methyltriazolo[1,5-a]pyrimidine

3-methyltriazolo[1,5-a]pyrimidine (PubChem CID 134553106) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 3-methyltriazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-methyltriazolo[1,5-a]pyrimidine
PubChem CID134553106
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name3-methyltriazolo[1,5-a]pyrimidine
SMILESCc1nnn2cccnc12
InChIInChI=1S/C6H6N4/c1-5-6-7-3-2-4-10(6)9-8-5/h2-4H,1H3
InChIKeyRPVNENVGXQQRAF-UHFFFAOYSA-N
XLogP0.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyltriazolo[1,5-a]pyrimidine?
The IUPAC name of 3-methyltriazolo[1,5-a]pyrimidine (CID 134553106) is 3-methyltriazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-methyltriazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-methyltriazolo[1,5-a]pyrimidine is Cc1nnn2cccnc12.
What is the InChIKey of 3-methyltriazolo[1,5-a]pyrimidine?
The InChIKey is RPVNENVGXQQRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-5-6-7-3-2-4-10(6)9-8-5/h2-4H,1H3.
What are the key properties of 3-methyltriazolo[1,5-a]pyrimidine?
3-methyltriazolo[1,5-a]pyrimidine has a molecular weight of 134.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltriazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134553106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).