6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine

C14H21N5 — CID 107490807

IUPAC6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine
SMILESCC1CCCC(C)N1Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H21N5/c1-9-4-3-5-10(2)19(9)18-14-7-13-11(6-12(14)15)8-16-17-13/h6-10,18H,3-5,15H2,1-2H3,(H,16,17)
InChIKeySMUVIZYXMIRPRF-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.73
Rot. Bonds2

About 6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine

6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine (PubChem CID 107490807) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine
PubChem CID107490807
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine
SMILESCC1CCCC(C)N1Nc1cc2[nH]ncc2cc1N
InChIInChI=1S/C14H21N5/c1-9-4-3-5-10(2)19(9)18-14-7-13-11(6-12(14)15)8-16-17-13/h6-10,18H,3-5,15H2,1-2H3,(H,16,17)
InChIKeySMUVIZYXMIRPRF-UHFFFAOYSA-N
XLogP2.73
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine (CID 107490807) is 6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine is CC1CCCC(C)N1Nc1cc2[nH]ncc2cc1N.
What is the InChIKey of 6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine?
The InChIKey is SMUVIZYXMIRPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9-4-3-5-10(2)19(9)18-14-7-13-11(6-12(14)15)8-16-17-13/h6-10,18H,3-5,15H2,1-2H3,(H,16,17).
What are the key properties of 6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine?
6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine has a molecular weight of 259.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine is sourced from PubChem (CID 107490807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).