5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine

C11H9N7O — CID 69029978

IUPAC5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine
SMILESc1coc(-c2ccn[nH]2)c1.c1ncc2n[nH]nc2n1
InChIInChI=1S/C7H6N2O.C4H3N5/c1-2-7(10-5-1)6-3-4-8-9-6;1-3-4(6-2-5-1)8-9-7-3/h1-5H,(H,8,9);1-2H,(H,5,6,7,8,9)
InChIKeyNNAXXJGMVHAKOE-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.42
Rot. Bonds1

About 5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine

5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine (PubChem CID 69029978) has the molecular formula C11H9N7O and a molecular weight of 255.24 g/mol. Its IUPAC name is 5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine
PubChem CID69029978
Molecular FormulaC11H9N7O
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine
SMILESc1coc(-c2ccn[nH]2)c1.c1ncc2n[nH]nc2n1
InChIInChI=1S/C7H6N2O.C4H3N5/c1-2-7(10-5-1)6-3-4-8-9-6;1-3-4(6-2-5-1)8-9-7-3/h1-5H,(H,8,9);1-2H,(H,5,6,7,8,9)
InChIKeyNNAXXJGMVHAKOE-UHFFFAOYSA-N
XLogP1.42
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine?
The IUPAC name of 5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine (CID 69029978) is 5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine is c1coc(-c2ccn[nH]2)c1.c1ncc2n[nH]nc2n1.
What is the InChIKey of 5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine?
The InChIKey is NNAXXJGMVHAKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.C4H3N5/c1-2-7(10-5-1)6-3-4-8-9-6;1-3-4(6-2-5-1)8-9-7-3/h1-5H,(H,8,9);1-2H,(H,5,6,7,8,9).
What are the key properties of 5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine?
5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine has a molecular weight of 255.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1H-pyrazole;2H-triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 69029978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).