7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C13H16N4 — CID 136709421

IUPAC7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)cc(C2CCNc3ncnn32)c1
InChIInChI=1S/C13H16N4/c1-9-5-10(2)7-11(6-9)12-3-4-14-13-15-8-16-17(12)13/h5-8,12H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyGMFCPOMJVIARIN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.30
Rot. Bonds1

About 7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136709421) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136709421
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)cc(C2CCNc3ncnn32)c1
InChIInChI=1S/C13H16N4/c1-9-5-10(2)7-11(6-9)12-3-4-14-13-15-8-16-17(12)13/h5-8,12H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyGMFCPOMJVIARIN-UHFFFAOYSA-N
XLogP2.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136709421) is 7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)cc(C2CCNc3ncnn32)c1.
What is the InChIKey of 7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GMFCPOMJVIARIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-5-10(2)7-11(6-9)12-3-4-14-13-15-8-16-17(12)13/h5-8,12H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 228.30 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).