3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine

C13H18N4 — CID 10220231

IUPAC3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine
SMILESCN1CCC(c2[nH]nc3ccc(N)cc23)CC1
InChIInChI=1S/C13H18N4/c1-17-6-4-9(5-7-17)13-11-8-10(14)2-3-12(11)15-16-13/h2-3,8-9H,4-7,14H2,1H3,(H,15,16)
InChIKeyHBGMNQMKJDVUQP-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.95
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine

3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine (PubChem CID 10220231) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine
PubChem CID10220231
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine
SMILESCN1CCC(c2[nH]nc3ccc(N)cc23)CC1
InChIInChI=1S/C13H18N4/c1-17-6-4-9(5-7-17)13-11-8-10(14)2-3-12(11)15-16-13/h2-3,8-9H,4-7,14H2,1H3,(H,15,16)
InChIKeyHBGMNQMKJDVUQP-UHFFFAOYSA-N
XLogP1.95
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine (CID 10220231) is 3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine is CN1CCC(c2[nH]nc3ccc(N)cc23)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine?
The InChIKey is HBGMNQMKJDVUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17-6-4-9(5-7-17)13-11-8-10(14)2-3-12(11)15-16-13/h2-3,8-9H,4-7,14H2,1H3,(H,15,16).
What are the key properties of 3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine?
3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine has a molecular weight of 230.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-2H-indazol-5-amine is sourced from PubChem (CID 10220231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).