2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

C9H11N3 — CID 3611062

IUPAC2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C)cc2n1
InChIInChI=1S/C9H11N3/c1-6-4-8(3)12-9(10-6)5-7(2)11-12/h4-5H,1-3H3
InChIKeyCMVBAPBWJKFPEA-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.65
Rot. Bonds

About 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 3611062) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
PubChem CID3611062
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(C)cc2n1
InChIInChI=1S/C9H11N3/c1-6-4-8(3)12-9(10-6)5-7(2)11-12/h4-5H,1-3H3
InChIKeyCMVBAPBWJKFPEA-UHFFFAOYSA-N
XLogP1.65
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine (CID 3611062) is 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(C)cc2n1.
What is the InChIKey of 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CMVBAPBWJKFPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6-4-8(3)12-9(10-6)5-7(2)11-12/h4-5H,1-3H3.
What are the key properties of 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine?
2,5,7-trimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 161.21 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3611062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).