(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine

C15H15N5O — CID 105066080

IUPAC(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
SMILESCOc1cnccc1C(N)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H15N5O/c1-21-14-10-17-8-7-12(14)15(16)13-9-18-19-20(13)11-5-3-2-4-6-11/h2-10,15H,16H2,1H3
InChIKeyGAJXMMNAAXSYES-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.72
Rot. Bonds4

About (3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine

(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine (PubChem CID 105066080) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is (3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
PubChem CID105066080
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
SMILESCOc1cnccc1C(N)c1cnnn1-c1ccccc1
InChIInChI=1S/C15H15N5O/c1-21-14-10-17-8-7-12(14)15(16)13-9-18-19-20(13)11-5-3-2-4-6-11/h2-10,15H,16H2,1H3
InChIKeyGAJXMMNAAXSYES-UHFFFAOYSA-N
XLogP1.72
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
CID 114688531
(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043267
2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine
CID 114687525
(3-methoxy-4-pyridinyl)-pyrimidin-5-ylmethanamine
CID 105065336
(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688939
furan-2-yl-(3-methoxy-4-pyridinyl)methanamine
CID 105065582
(3-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043263
(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114686892
(2,5-dichlorothiophen-3-yl)-(3-phenyltriazol-4-yl)methanamine
CID 107969139
(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 103443749
(2,3-dichlorophenyl)-(3-methoxy-4-pyridinyl)methanamine
CID 105065497
(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine?
The IUPAC name of (3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine (CID 105066080) is (3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine?
The canonical SMILES for (3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine is COc1cnccc1C(N)c1cnnn1-c1ccccc1.
What is the InChIKey of (3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine?
The InChIKey is GAJXMMNAAXSYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-21-14-10-17-8-7-12(14)15(16)13-9-18-19-20(13)11-5-3-2-4-6-11/h2-10,15H,16H2,1H3.
What are the key properties of (3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine?
(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine has a molecular weight of 281.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine is sourced from PubChem (CID 105066080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).