6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine

C8H6ClN7O — CID 106596929

IUPAC6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCn1cnc(Oc2nc(Cl)nc3[nH]ncc23)n1
InChIInChI=1S/C8H6ClN7O/c1-16-3-10-8(15-16)17-6-4-2-11-14-5(4)12-7(9)13-6/h2-3H,1H3,(H,11,12,13,14)
InChIKeyOJGGCEWKCONLKH-UHFFFAOYSA-N
MW251.64 g/mol
LogP0.93
Rot. Bonds2

About 6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine

6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 106596929) has the molecular formula C8H6ClN7O and a molecular weight of 251.64 g/mol. Its IUPAC name is 6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID106596929
Molecular FormulaC8H6ClN7O
Molecular Weight251.64 g/mol
Exact Mass251.03
IUPAC Name6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCn1cnc(Oc2nc(Cl)nc3[nH]ncc23)n1
InChIInChI=1S/C8H6ClN7O/c1-16-3-10-8(15-16)17-6-4-2-11-14-5(4)12-7(9)13-6/h2-3H,1H3,(H,11,12,13,14)
InChIKeyOJGGCEWKCONLKH-UHFFFAOYSA-N
XLogP0.93
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 106598643
[3,5-dichloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]hydrazine
CID 106598864
6-chloro-4-(2-methylpentoxy)-1H-pyrazolo[5,4-d]pyrimidine
CID 103283689
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]ethanamine
CID 106597984
3,5-dibromo-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine
CID 106597689
5-iodo-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine
CID 106597704
[6-ethyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 106598874
6-chloro-4-methoxy-1H-pyrazolo[5,4-b]pyridine
CID 150003062
N-[[5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106597985
[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776501
5-bromo-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridin-3-amine
CID 106596710
4-(5-bromo-3-methyltriazol-4-yl)-6-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 106463638

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine (CID 106596929) is 6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine is Cn1cnc(Oc2nc(Cl)nc3[nH]ncc23)n1.
What is the InChIKey of 6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is OJGGCEWKCONLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN7O/c1-16-3-10-8(15-16)17-6-4-2-11-14-5(4)12-7(9)13-6/h2-3H,1H3,(H,11,12,13,14).
What are the key properties of 6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine?
6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 251.64 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 106596929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).