[3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine

C9H11N5O — CID 106596412

IUPAC[3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine
SMILESCn1cnc(Oc2cnccc2CN)n1
InChIInChI=1S/C9H11N5O/c1-14-6-12-9(13-14)15-8-5-11-3-2-7(8)4-10/h2-3,5-6H,4,10H2,1H3
InChIKeyUOMXDQPORPMKCW-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.46
Rot. Bonds3

About [3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine

[3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine (PubChem CID 106596412) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is [3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine
PubChem CID106596412
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name[3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine
SMILESCn1cnc(Oc2cnccc2CN)n1
InChIInChI=1S/C9H11N5O/c1-14-6-12-9(13-14)15-8-5-11-3-2-7(8)4-10/h2-3,5-6H,4,10H2,1H3
InChIKeyUOMXDQPORPMKCW-UHFFFAOYSA-N
XLogP0.46
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
CID 106596411
[3-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 59112975
[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]methanamine
CID 142566545
[2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
CID 106596395
[3-(4-butylphenoxy)-4-pyridinyl]methanamine
CID 115492198
[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methanamine
CID 113443511
[2-ethylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
CID 106596442
[3-[4-fluoro-3-(trifluoromethyl)phenoxy]-4-pyridinyl]methanamine
CID 102746859
[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine
CID 103176702
[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 66524168
2-methyl-N-[[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 106597925
[5-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrazin-2-yl]methanol
CID 107373257

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine?
The IUPAC name of [3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine (CID 106596412) is [3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine.
What is the SMILES notation for [3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine?
The canonical SMILES for [3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine is Cn1cnc(Oc2cnccc2CN)n1.
What is the InChIKey of [3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine?
The InChIKey is UOMXDQPORPMKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-14-6-12-9(13-14)15-8-5-11-3-2-7(8)4-10/h2-3,5-6H,4,10H2,1H3.
What are the key properties of [3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine?
[3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine has a molecular weight of 205.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 106596412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).