1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole

C17H16N4 — CID 168918626

IUPAC1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole
SMILESCc1cccc2c1cnn2Cc1cccc2c1cnn2C
InChIInChI=1S/C17H16N4/c1-12-5-3-8-17-14(12)9-19-21(17)11-13-6-4-7-16-15(13)10-18-20(16)2/h3-10H,11H2,1-2H3
InChIKeyLDWKLIDEFHWZGL-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.28
Rot. Bonds2

About 1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole

1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole (PubChem CID 168918626) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole.

Molecular Properties

Compound Name1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole
PubChem CID168918626
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole
SMILESCc1cccc2c1cnn2Cc1cccc2c1cnn2C
InChIInChI=1S/C17H16N4/c1-12-5-3-8-17-14(12)9-19-21(17)11-13-6-4-7-16-15(13)10-18-20(16)2/h3-10H,11H2,1-2H3
InChIKeyLDWKLIDEFHWZGL-UHFFFAOYSA-N
XLogP3.28
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole?
The IUPAC name of 1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole (CID 168918626) is 1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole.
What is the SMILES notation for 1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole?
The canonical SMILES for 1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole is Cc1cccc2c1cnn2Cc1cccc2c1cnn2C.
What is the InChIKey of 1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole?
The InChIKey is LDWKLIDEFHWZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-12-5-3-8-17-14(12)9-19-21(17)11-13-6-4-7-16-15(13)10-18-20(16)2/h3-10H,11H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole?
1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole has a molecular weight of 276.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylindazol-1-yl)methyl]indazole is sourced from PubChem (CID 168918626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).