N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride

C13H19ClN4 — CID 117073123

IUPACN-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride
SMILESCN(c1ccc2[nH]ncc2c1)C1CCNCC1.Cl
InChIInChI=1S/C13H18N4.ClH/c1-17(11-4-6-14-7-5-11)12-2-3-13-10(8-12)9-15-16-13;/h2-3,8-9,11,14H,4-7H2,1H3,(H,15,16);1H
InChIKeyHTBAAVJEBKDXSW-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.17
Rot. Bonds2

About N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride

N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride (PubChem CID 117073123) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride
PubChem CID117073123
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC NameN-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride
SMILESCN(c1ccc2[nH]ncc2c1)C1CCNCC1.Cl
InChIInChI=1S/C13H18N4.ClH/c1-17(11-4-6-14-7-5-11)12-2-3-13-10(8-12)9-15-16-13;/h2-3,8-9,11,14H,4-7H2,1H3,(H,15,16);1H
InChIKeyHTBAAVJEBKDXSW-UHFFFAOYSA-N
XLogP2.17
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride (CID 117073123) is N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride is CN(c1ccc2[nH]ncc2c1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride?
The InChIKey is HTBAAVJEBKDXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.ClH/c1-17(11-4-6-14-7-5-11)12-2-3-13-10(8-12)9-15-16-13;/h2-3,8-9,11,14H,4-7H2,1H3,(H,15,16);1H.
What are the key properties of N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride?
N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride has a molecular weight of 266.78 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride is sourced from PubChem (CID 117073123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).