[5-(aminomethyl)-2H-indazol-3-yl]methanol

C9H11N3O — CID 170916671

IUPAC[5-(aminomethyl)-2H-indazol-3-yl]methanol
SMILESNCc1ccc2n[nH]c(CO)c2c1
InChIInChI=1S/C9H11N3O/c10-4-6-1-2-8-7(3-6)9(5-13)12-11-8/h1-3,13H,4-5,10H2,(H,11,12)
InChIKeyRZXGVUGKFMKCSO-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.51
Rot. Bonds2

About [5-(aminomethyl)-2H-indazol-3-yl]methanol

[5-(aminomethyl)-2H-indazol-3-yl]methanol (PubChem CID 170916671) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is [5-(aminomethyl)-2H-indazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-2H-indazol-3-yl]methanol
PubChem CID170916671
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name[5-(aminomethyl)-2H-indazol-3-yl]methanol
SMILESNCc1ccc2n[nH]c(CO)c2c1
InChIInChI=1S/C9H11N3O/c10-4-6-1-2-8-7(3-6)9(5-13)12-11-8/h1-3,13H,4-5,10H2,(H,11,12)
InChIKeyRZXGVUGKFMKCSO-UHFFFAOYSA-N
XLogP0.51
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2H-indazol-3-yl]methanol?
The IUPAC name of [5-(aminomethyl)-2H-indazol-3-yl]methanol (CID 170916671) is [5-(aminomethyl)-2H-indazol-3-yl]methanol.
What is the SMILES notation for [5-(aminomethyl)-2H-indazol-3-yl]methanol?
The canonical SMILES for [5-(aminomethyl)-2H-indazol-3-yl]methanol is NCc1ccc2n[nH]c(CO)c2c1.
What is the InChIKey of [5-(aminomethyl)-2H-indazol-3-yl]methanol?
The InChIKey is RZXGVUGKFMKCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-4-6-1-2-8-7(3-6)9(5-13)12-11-8/h1-3,13H,4-5,10H2,(H,11,12).
What are the key properties of [5-(aminomethyl)-2H-indazol-3-yl]methanol?
[5-(aminomethyl)-2H-indazol-3-yl]methanol has a molecular weight of 177.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2H-indazol-3-yl]methanol is sourced from PubChem (CID 170916671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).