7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C10H10N6 — CID 4773198

IUPAC7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nn(C)cc1-c1ccnc2ncnn12
InChIInChI=1S/C10H10N6/c1-7-8(5-15(2)14-7)9-3-4-11-10-12-6-13-16(9)10/h3-6H,1-2H3
InChIKeyCVYHALQVZKPLAW-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.83
Rot. Bonds1

About 7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4773198) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID4773198
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nn(C)cc1-c1ccnc2ncnn12
InChIInChI=1S/C10H10N6/c1-7-8(5-15(2)14-7)9-3-4-11-10-12-6-13-16(9)10/h3-6H,1-2H3
InChIKeyCVYHALQVZKPLAW-UHFFFAOYSA-N
XLogP0.83
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4773198) is 7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nn(C)cc1-c1ccnc2ncnn12.
What is the InChIKey of 7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CVYHALQVZKPLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-7-8(5-15(2)14-7)9-3-4-11-10-12-6-13-16(9)10/h3-6H,1-2H3.
What are the key properties of 7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 214.23 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4773198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).