5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine

C18H17N5O — CID 170148010

IUPAC5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine
SMILESCn1ccc2cccc(COc3cccc(-c4n[nH]nc4N)c3)c21
InChIInChI=1S/C18H17N5O/c1-23-9-8-12-4-2-6-14(17(12)23)11-24-15-7-3-5-13(10-15)16-18(19)21-22-20-16/h2-10H,11H2,1H3,(H3,19,20,21,22)
InChIKeyDEYIUOFOHUBNRT-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.12
Rot. Bonds4

About 5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine

5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine (PubChem CID 170148010) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine
PubChem CID170148010
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine
SMILESCn1ccc2cccc(COc3cccc(-c4n[nH]nc4N)c3)c21
InChIInChI=1S/C18H17N5O/c1-23-9-8-12-4-2-6-14(17(12)23)11-24-15-7-3-5-13(10-15)16-18(19)21-22-20-16/h2-10H,11H2,1H3,(H3,19,20,21,22)
InChIKeyDEYIUOFOHUBNRT-UHFFFAOYSA-N
XLogP3.12
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine?
The IUPAC name of 5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine (CID 170148010) is 5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine?
The canonical SMILES for 5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine is Cn1ccc2cccc(COc3cccc(-c4n[nH]nc4N)c3)c21.
What is the InChIKey of 5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine?
The InChIKey is DEYIUOFOHUBNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-23-9-8-12-4-2-6-14(17(12)23)11-24-15-7-3-5-13(10-15)16-18(19)21-22-20-16/h2-10H,11H2,1H3,(H3,19,20,21,22).
What are the key properties of 5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine?
5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine has a molecular weight of 319.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine is sourced from PubChem (CID 170148010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).