(2-methylindazol-7-yl)oxymethanamine

C9H11N3O — CID 163894918

IUPAC(2-methylindazol-7-yl)oxymethanamine
SMILESCn1cc2cccc(OCN)c2n1
InChIInChI=1S/C9H11N3O/c1-12-5-7-3-2-4-8(13-6-10)9(7)11-12/h2-5H,6,10H2,1H3
InChIKeyQETOUBDXMKYJMM-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.87
Rot. Bonds2

About (2-methylindazol-7-yl)oxymethanamine

(2-methylindazol-7-yl)oxymethanamine (PubChem CID 163894918) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (2-methylindazol-7-yl)oxymethanamine.

Molecular Properties

Compound Name(2-methylindazol-7-yl)oxymethanamine
PubChem CID163894918
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(2-methylindazol-7-yl)oxymethanamine
SMILESCn1cc2cccc(OCN)c2n1
InChIInChI=1S/C9H11N3O/c1-12-5-7-3-2-4-8(13-6-10)9(7)11-12/h2-5H,6,10H2,1H3
InChIKeyQETOUBDXMKYJMM-UHFFFAOYSA-N
XLogP0.87
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylindazol-7-yl)oxymethanamine?
The IUPAC name of (2-methylindazol-7-yl)oxymethanamine (CID 163894918) is (2-methylindazol-7-yl)oxymethanamine.
What is the SMILES notation for (2-methylindazol-7-yl)oxymethanamine?
The canonical SMILES for (2-methylindazol-7-yl)oxymethanamine is Cn1cc2cccc(OCN)c2n1.
What is the InChIKey of (2-methylindazol-7-yl)oxymethanamine?
The InChIKey is QETOUBDXMKYJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-12-5-7-3-2-4-8(13-6-10)9(7)11-12/h2-5H,6,10H2,1H3.
What are the key properties of (2-methylindazol-7-yl)oxymethanamine?
(2-methylindazol-7-yl)oxymethanamine has a molecular weight of 177.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylindazol-7-yl)oxymethanamine is sourced from PubChem (CID 163894918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).