1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride

C15H20Cl2N6 — CID 18796586

IUPAC1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride
SMILESCN1CCC(n2ncc3ccc(-n4cnnc4)cc32)CC1.Cl.Cl
InChIInChI=1S/C15H18N6.2ClH/c1-19-6-4-13(5-7-19)21-15-8-14(20-10-16-17-11-20)3-2-12(15)9-18-21;;/h2-3,8-11,13H,4-7H2,1H3;2*1H
InChIKeyIQOULBRZJHJSLO-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.73
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride

1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride (PubChem CID 18796586) has the molecular formula C15H20Cl2N6 and a molecular weight of 355.27 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride
PubChem CID18796586
Molecular FormulaC15H20Cl2N6
Molecular Weight355.27 g/mol
Exact Mass354.11
IUPAC Name1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride
SMILESCN1CCC(n2ncc3ccc(-n4cnnc4)cc32)CC1.Cl.Cl
InChIInChI=1S/C15H18N6.2ClH/c1-19-6-4-13(5-7-19)21-15-8-14(20-10-16-17-11-20)3-2-12(15)9-18-21;;/h2-3,8-11,13H,4-7H2,1H3;2*1H
InChIKeyIQOULBRZJHJSLO-UHFFFAOYSA-N
XLogP2.73
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride (CID 18796586) is 1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride is CN1CCC(n2ncc3ccc(-n4cnnc4)cc32)CC1.Cl.Cl.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride?
The InChIKey is IQOULBRZJHJSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6.2ClH/c1-19-6-4-13(5-7-19)21-15-8-14(20-10-16-17-11-20)3-2-12(15)9-18-21;;/h2-3,8-11,13H,4-7H2,1H3;2*1H.
What are the key properties of 1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride?
1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride has a molecular weight of 355.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-6-(1,2,4-triazol-4-yl)indazole;dihydrochloride is sourced from PubChem (CID 18796586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).