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

C13H15N3 — CID 10614374

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole
SMILESCN1CC=C(n2ncc3ccccc32)CC1
InChIInChI=1S/C13H15N3/c1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14-16/h2-6,10H,7-9H2,1H3
InChIKeyHOVCSHAZPPGISS-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.21
Rot. Bonds1

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

1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole (PubChem CID 10614374) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole
PubChem CID10614374
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole
SMILESCN1CC=C(n2ncc3ccccc32)CC1
InChIInChI=1S/C13H15N3/c1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14-16/h2-6,10H,7-9H2,1H3
InChIKeyHOVCSHAZPPGISS-UHFFFAOYSA-N
XLogP2.21
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole (CID 10614374) is 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole is CN1CC=C(n2ncc3ccccc32)CC1.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole?
The InChIKey is HOVCSHAZPPGISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14-16/h2-6,10H,7-9H2,1H3.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole?
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole has a molecular weight of 213.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole is sourced from PubChem (CID 10614374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).