[5-(1-methylindazol-3-yl)furan-2-yl]methanamine

C13H13N3O — CID 57395332

IUPAC[5-(1-methylindazol-3-yl)furan-2-yl]methanamine
SMILESCn1nc(-c2ccc(CN)o2)c2ccccc21
InChIInChI=1S/C13H13N3O/c1-16-11-5-3-2-4-10(11)13(15-16)12-7-6-9(8-14)17-12/h2-7H,8,14H2,1H3
InChIKeyGZONBAJDNHKKJM-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.29
Rot. Bonds2

About [5-(1-methylindazol-3-yl)furan-2-yl]methanamine

[5-(1-methylindazol-3-yl)furan-2-yl]methanamine (PubChem CID 57395332) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is [5-(1-methylindazol-3-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-methylindazol-3-yl)furan-2-yl]methanamine
PubChem CID57395332
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name[5-(1-methylindazol-3-yl)furan-2-yl]methanamine
SMILESCn1nc(-c2ccc(CN)o2)c2ccccc21
InChIInChI=1S/C13H13N3O/c1-16-11-5-3-2-4-10(11)13(15-16)12-7-6-9(8-14)17-12/h2-7H,8,14H2,1H3
InChIKeyGZONBAJDNHKKJM-UHFFFAOYSA-N
XLogP2.29
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylindazol-3-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(1-methylindazol-3-yl)furan-2-yl]methanamine (CID 57395332) is [5-(1-methylindazol-3-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(1-methylindazol-3-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(1-methylindazol-3-yl)furan-2-yl]methanamine is Cn1nc(-c2ccc(CN)o2)c2ccccc21.
What is the InChIKey of [5-(1-methylindazol-3-yl)furan-2-yl]methanamine?
The InChIKey is GZONBAJDNHKKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-16-11-5-3-2-4-10(11)13(15-16)12-7-6-9(8-14)17-12/h2-7H,8,14H2,1H3.
What are the key properties of [5-(1-methylindazol-3-yl)furan-2-yl]methanamine?
[5-(1-methylindazol-3-yl)furan-2-yl]methanamine has a molecular weight of 227.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylindazol-3-yl)furan-2-yl]methanamine is sourced from PubChem (CID 57395332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).