5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C6H10N4 — CID 136555871

IUPAC5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1CCn2ncnc2N1
InChIInChI=1S/C6H10N4/c1-5-2-3-10-6(9-5)7-4-8-10/h4-5H,2-3H2,1H3,(H,7,8,9)
InChIKeyASTQPMVMXNNDLE-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.48
Rot. Bonds

About 5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136555871) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136555871
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC1CCn2ncnc2N1
InChIInChI=1S/C6H10N4/c1-5-2-3-10-6(9-5)7-4-8-10/h4-5H,2-3H2,1H3,(H,7,8,9)
InChIKeyASTQPMVMXNNDLE-UHFFFAOYSA-N
XLogP0.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136555871) is 5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is CC1CCn2ncnc2N1.
What is the InChIKey of 5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ASTQPMVMXNNDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-5-2-3-10-6(9-5)7-4-8-10/h4-5H,2-3H2,1H3,(H,7,8,9).
What are the key properties of 5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 138.17 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136555871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).