6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine

C15H12N6 — CID 121495242

IUPAC6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCn1nccc1-c1cccc(-c2cnc3nncn3c2)c1
InChIInChI=1S/C15H12N6/c1-20-14(5-6-18-20)12-4-2-3-11(7-12)13-8-16-15-19-17-10-21(15)9-13/h2-10H,1H3
InChIKeyNFYSTGHAXHFWCK-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.19
Rot. Bonds2

About 6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine

6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 121495242) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID121495242
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCn1nccc1-c1cccc(-c2cnc3nncn3c2)c1
InChIInChI=1S/C15H12N6/c1-20-14(5-6-18-20)12-4-2-3-11(7-12)13-8-16-15-19-17-10-21(15)9-13/h2-10H,1H3
InChIKeyNFYSTGHAXHFWCK-UHFFFAOYSA-N
XLogP2.19
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine (CID 121495242) is 6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine is Cn1nccc1-c1cccc(-c2cnc3nncn3c2)c1.
What is the InChIKey of 6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is NFYSTGHAXHFWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-20-14(5-6-18-20)12-4-2-3-11(7-12)13-8-16-15-19-17-10-21(15)9-13/h2-10H,1H3.
What are the key properties of 6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine?
6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 276.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methylpyrazol-3-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 121495242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).