6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole

C13H15N3 — CID 53408346

IUPAC6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole
SMILESCN1CC=C(c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C13H15N3/c1-16-6-4-10(5-7-16)11-2-3-12-9-14-15-13(12)8-11/h2-4,8-9H,5-7H2,1H3,(H,14,15)
InChIKeyOBQBTAVZHRCACI-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.28
Rot. Bonds1

About 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole

6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole (PubChem CID 53408346) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole.

Molecular Properties

Compound Name6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole
PubChem CID53408346
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole
SMILESCN1CC=C(c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C13H15N3/c1-16-6-4-10(5-7-16)11-2-3-12-9-14-15-13(12)8-11/h2-4,8-9H,5-7H2,1H3,(H,14,15)
InChIKeyOBQBTAVZHRCACI-UHFFFAOYSA-N
XLogP2.28
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole?
The IUPAC name of 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole (CID 53408346) is 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole.
What is the SMILES notation for 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole?
The canonical SMILES for 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole is CN1CC=C(c2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole?
The InChIKey is OBQBTAVZHRCACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-6-4-10(5-7-16)11-2-3-12-9-14-15-13(12)8-11/h2-4,8-9H,5-7H2,1H3,(H,14,15).
What are the key properties of 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole?
6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole has a molecular weight of 213.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole is sourced from PubChem (CID 53408346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).