6-methyl-1-pyrimidin-4-ylindazole

C12H10N4 — CID 123216048

IUPAC6-methyl-1-pyrimidin-4-ylindazole
SMILESCc1ccc2cnn(-c3ccncn3)c2c1
InChIInChI=1S/C12H10N4/c1-9-2-3-10-7-15-16(11(10)6-9)12-4-5-13-8-14-12/h2-8H,1H3
InChIKeyHJYQDNKVRPEGEV-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.12
Rot. Bonds1

About 6-methyl-1-pyrimidin-4-ylindazole

6-methyl-1-pyrimidin-4-ylindazole (PubChem CID 123216048) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-methyl-1-pyrimidin-4-ylindazole.

Molecular Properties

Compound Name6-methyl-1-pyrimidin-4-ylindazole
PubChem CID123216048
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name6-methyl-1-pyrimidin-4-ylindazole
SMILESCc1ccc2cnn(-c3ccncn3)c2c1
InChIInChI=1S/C12H10N4/c1-9-2-3-10-7-15-16(11(10)6-9)12-4-5-13-8-14-12/h2-8H,1H3
InChIKeyHJYQDNKVRPEGEV-UHFFFAOYSA-N
XLogP2.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-pyrimidin-4-ylindazole?
The IUPAC name of 6-methyl-1-pyrimidin-4-ylindazole (CID 123216048) is 6-methyl-1-pyrimidin-4-ylindazole.
What is the SMILES notation for 6-methyl-1-pyrimidin-4-ylindazole?
The canonical SMILES for 6-methyl-1-pyrimidin-4-ylindazole is Cc1ccc2cnn(-c3ccncn3)c2c1.
What is the InChIKey of 6-methyl-1-pyrimidin-4-ylindazole?
The InChIKey is HJYQDNKVRPEGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-9-2-3-10-7-15-16(11(10)6-9)12-4-5-13-8-14-12/h2-8H,1H3.
What are the key properties of 6-methyl-1-pyrimidin-4-ylindazole?
6-methyl-1-pyrimidin-4-ylindazole has a molecular weight of 210.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pyrimidin-4-ylindazole is sourced from PubChem (CID 123216048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).