[1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine

C15H16N4O3 — CID 82197918

IUPAC[1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
SMILESCOc1ccc(-n2nnc(CN)c2-c2ccco2)c(OC)c1
InChIInChI=1S/C15H16N4O3/c1-20-10-5-6-12(14(8-10)21-2)19-15(11(9-16)17-18-19)13-4-3-7-22-13/h3-8H,9,16H2,1-2H3
InChIKeySQVZWNRXPGZTSO-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.00
Rot. Bonds5

About [1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine

[1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine (PubChem CID 82197918) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is [1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
PubChem CID82197918
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name[1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
SMILESCOc1ccc(-n2nnc(CN)c2-c2ccco2)c(OC)c1
InChIInChI=1S/C15H16N4O3/c1-20-10-5-6-12(14(8-10)21-2)19-15(11(9-16)17-18-19)13-4-3-7-22-13/h3-8H,9,16H2,1-2H3
InChIKeySQVZWNRXPGZTSO-UHFFFAOYSA-N
XLogP2.00
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(4-chloro-2-methylphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82195251
[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197909
[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine
CID 62737017
[1-(2,4-dimethoxyphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 94938175
[1-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanol
CID 82196667
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
5-(furan-2-yl)-1-(2-methoxyphenyl)triazole-4-carbonitrile
CID 82199008
[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82198669
[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol
CID 82197872
[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205137
4-(2,4-dimethoxyphenyl)-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
CID 5053752
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine (CID 82197918) is [1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine is COc1ccc(-n2nnc(CN)c2-c2ccco2)c(OC)c1.
What is the InChIKey of [1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine?
The InChIKey is SQVZWNRXPGZTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-20-10-5-6-12(14(8-10)21-2)19-15(11(9-16)17-18-19)13-4-3-7-22-13/h3-8H,9,16H2,1-2H3.
What are the key properties of [1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine?
[1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine has a molecular weight of 300.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82197918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).