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

C14H18N4O2 — CID 82199059

IUPAC[1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
SMILESCOc1ccccc1-n1nnc(CN)c1C1CCCO1
InChIInChI=1S/C14H18N4O2/c1-19-12-6-3-2-5-11(12)18-14(10(9-15)16-17-18)13-7-4-8-20-13/h2-3,5-6,13H,4,7-9,15H2,1H3
InChIKeySAALODBZZQOHSA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.59
Rot. Bonds4

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

[1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine (PubChem CID 82199059) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
PubChem CID82199059
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name[1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
SMILESCOc1ccccc1-n1nnc(CN)c1C1CCCO1
InChIInChI=1S/C14H18N4O2/c1-19-12-6-3-2-5-11(12)18-14(10(9-15)16-17-18)13-7-4-8-20-13/h2-3,5-6,13H,4,7-9,15H2,1H3
InChIKeySAALODBZZQOHSA-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-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82197241
[1-(5-chloro-2-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82196348
4-[4-(aminomethyl)-5-(oxolan-2-yl)triazol-1-yl]-N,N-dimethylaniline
CID 82199693
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82221381
1-(2,4-dimethoxyphenyl)-5-(oxolan-2-yl)triazole-4-carbaldehyde
CID 82197895
[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 83881539
1-(2-methoxyphenyl)-5-[(2R)-oxan-2-yl]-3-propan-2-yl-1,2,4-triazole
CID 95140379
[1-butyl-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82205498
[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197956
methyl 3-[4-(hydroxymethyl)-5-(oxolan-2-yl)triazol-1-yl]benzoate
CID 82200566
[5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine
CID 82199564
4-(chloromethyl)-5-ethyl-1-(2-methoxyphenyl)triazole
CID 56769536

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine (CID 82199059) is [1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine is COc1ccccc1-n1nnc(CN)c1C1CCCO1.
What is the InChIKey of [1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
The InChIKey is SAALODBZZQOHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-12-6-3-2-5-11(12)18-14(10(9-15)16-17-18)13-7-4-8-20-13/h2-3,5-6,13H,4,7-9,15H2,1H3.
What are the key properties of [1-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine?
[1-(2-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-(2-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82199059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).