[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine

C14H18N4O2 — CID 82197241

IUPAC[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
SMILESCOc1cccc(-n2nnc(CN)c2C2CCCO2)c1
InChIInChI=1S/C14H18N4O2/c1-19-11-5-2-4-10(8-11)18-14(12(9-15)16-17-18)13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9,15H2,1H3
InChIKeyIOEJUAWLUCUBSW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.59
Rot. Bonds4

About [1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine

[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine (PubChem CID 82197241) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
PubChem CID82197241
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
SMILESCOc1cccc(-n2nnc(CN)c2C2CCCO2)c1
InChIInChI=1S/C14H18N4O2/c1-19-11-5-2-4-10(8-11)18-14(12(9-15)16-17-18)13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9,15H2,1H3
InChIKeyIOEJUAWLUCUBSW-UHFFFAOYSA-N
XLogP1.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82199059
[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197956
4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline
CID 82199693
methyl 3-[4-(hydroxymethyl)-5-(oxolan-2-yl)triazol-1-yl]benzoate
CID 82200566
[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197026
[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82200344
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
2-[4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]phenyl]acetic acid
CID 82195563
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82221381
1-(3-methylphenyl)-5-(oxolan-2-yl)triazole-4-carboxylic acid
CID 82201222
[5-(3-chlorophenyl)-1-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94937736
1-(2,4-dimethoxyphenyl)-5-(oxolan-2-yl)triazole-4-carbaldehyde
CID 82197895

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine (CID 82197241) is [1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine is COc1cccc(-n2nnc(CN)c2C2CCCO2)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The InChIKey is IOEJUAWLUCUBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-11-5-2-4-10(8-11)18-14(12(9-15)16-17-18)13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9,15H2,1H3.
What are the key properties of [1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine has a molecular weight of 274.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82197241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).