8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine

C13H13N5O — CID 107040861

IUPAC8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine
SMILESCn1cc(COc2ccc(N)c3cccnc23)nn1
InChIInChI=1S/C13H13N5O/c1-18-7-9(16-17-18)8-19-12-5-4-11(14)10-3-2-6-15-13(10)12/h2-7H,8,14H2,1H3
InChIKeyDJUHWLUIBSCOLD-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.52
Rot. Bonds3

About 8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine

8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine (PubChem CID 107040861) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine.

Molecular Properties

Compound Name8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine
PubChem CID107040861
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine
SMILESCn1cc(COc2ccc(N)c3cccnc23)nn1
InChIInChI=1S/C13H13N5O/c1-18-7-9(16-17-18)8-19-12-5-4-11(14)10-3-2-6-15-13(10)12/h2-7H,8,14H2,1H3
InChIKeyDJUHWLUIBSCOLD-UHFFFAOYSA-N
XLogP1.52
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[(1-methyltriazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 107041260
1-methyl-4-(naphthalen-1-yloxymethyl)triazole
CID 102499478
6-(5-aminoquinolin-8-yl)oxyhexan-1-ol
CID 107702002
8-(pyridin-3-ylmethoxy)quinolin-5-amine
CID 60863689
4-[(2-chlorophenoxy)methyl]-1-methyltriazole
CID 103866170
8-(2-methoxypropoxy)quinolin-5-amine
CID 113382666
2-methyl-4-[(1-methyltriazol-4-yl)methoxy]aniline
CID 107040834
3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide
CID 60863326
3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
CID 62890135
8-[(5-fluoro-2-methylphenyl)methoxy]quinolin-5-amine
CID 105369730
8-(cyclopropylmethoxy)quinolin-5-amine
CID 43450315
2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide
CID 61489515

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine?
The IUPAC name of 8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine (CID 107040861) is 8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine.
What is the SMILES notation for 8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine?
The canonical SMILES for 8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine is Cn1cc(COc2ccc(N)c3cccnc23)nn1.
What is the InChIKey of 8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine?
The InChIKey is DJUHWLUIBSCOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-7-9(16-17-18)8-19-12-5-4-11(14)10-3-2-6-15-13(10)12/h2-7H,8,14H2,1H3.
What are the key properties of 8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine?
8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine has a molecular weight of 255.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methyltriazol-4-yl)methoxy]quinolin-5-amine is sourced from PubChem (CID 107040861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).