1-methyl-3-pyrimidin-5-ylindazol-5-ol

C12H10N4O — CID 166449884

IUPAC1-methyl-3-pyrimidin-5-ylindazol-5-ol
SMILESCn1nc(-c2cncnc2)c2cc(O)ccc21
InChIInChI=1S/C12H10N4O/c1-16-11-3-2-9(17)4-10(11)12(15-16)8-5-13-7-14-6-8/h2-7,17H,1H3
InChIKeyMEIKXWYKGHUFIG-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.74
Rot. Bonds1

About 1-methyl-3-pyrimidin-5-ylindazol-5-ol

1-methyl-3-pyrimidin-5-ylindazol-5-ol (PubChem CID 166449884) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-methyl-3-pyrimidin-5-ylindazol-5-ol.

Molecular Properties

Compound Name1-methyl-3-pyrimidin-5-ylindazol-5-ol
PubChem CID166449884
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name1-methyl-3-pyrimidin-5-ylindazol-5-ol
SMILESCn1nc(-c2cncnc2)c2cc(O)ccc21
InChIInChI=1S/C12H10N4O/c1-16-11-3-2-9(17)4-10(11)12(15-16)8-5-13-7-14-6-8/h2-7,17H,1H3
InChIKeyMEIKXWYKGHUFIG-UHFFFAOYSA-N
XLogP1.74
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrimidin-5-ylindazol-5-ol?
The IUPAC name of 1-methyl-3-pyrimidin-5-ylindazol-5-ol (CID 166449884) is 1-methyl-3-pyrimidin-5-ylindazol-5-ol.
What is the SMILES notation for 1-methyl-3-pyrimidin-5-ylindazol-5-ol?
The canonical SMILES for 1-methyl-3-pyrimidin-5-ylindazol-5-ol is Cn1nc(-c2cncnc2)c2cc(O)ccc21.
What is the InChIKey of 1-methyl-3-pyrimidin-5-ylindazol-5-ol?
The InChIKey is MEIKXWYKGHUFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-16-11-3-2-9(17)4-10(11)12(15-16)8-5-13-7-14-6-8/h2-7,17H,1H3.
What are the key properties of 1-methyl-3-pyrimidin-5-ylindazol-5-ol?
1-methyl-3-pyrimidin-5-ylindazol-5-ol has a molecular weight of 226.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrimidin-5-ylindazol-5-ol is sourced from PubChem (CID 166449884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).