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

C13H18N4O2 — CID 82197909

IUPAC[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1-c1ccc(OC)cc1OC
InChIInChI=1S/C13H18N4O2/c1-4-11-10(8-14)15-16-17(11)12-6-5-9(18-2)7-13(12)19-3/h5-7H,4,8,14H2,1-3H3
InChIKeyCARQKVLKEYNBDO-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.31
Rot. Bonds5

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

[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine (PubChem CID 82197909) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine
PubChem CID82197909
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1-c1ccc(OC)cc1OC
InChIInChI=1S/C13H18N4O2/c1-4-11-10(8-14)15-16-17(11)12-6-5-9(18-2)7-13(12)19-3/h5-7H,4,8,14H2,1-3H3
InChIKeyCARQKVLKEYNBDO-UHFFFAOYSA-N
XLogP1.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol
CID 82197872
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-ethyltriazol-4-yl]methanamine
CID 82197582
[1-(2,4-dimethoxyphenyl)-5-(furan-2-yl)triazol-4-yl]methanamine
CID 82197918
[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine
CID 62737017
[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82198669
4-(chloromethyl)-5-ethyl-1-(2-methoxyphenyl)triazole
CID 56769536
5-butyl-1-(2,4-dimethoxyphenyl)triazole-4-carbonitrile
CID 82197876
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
CID 105472466
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196549
[5-ethyl-1-(4-phenoxyphenyl)triazol-4-yl]methanamine
CID 82198492
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254
[1-(4-chloro-2,5-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanol
CID 82197279

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine?
The IUPAC name of [1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine (CID 82197909) is [1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine?
The canonical SMILES for [1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine is CCc1c(CN)nnn1-c1ccc(OC)cc1OC.
What is the InChIKey of [1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine?
The InChIKey is CARQKVLKEYNBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-11-10(8-14)15-16-17(11)12-6-5-9(18-2)7-13(12)19-3/h5-7H,4,8,14H2,1-3H3.
What are the key properties of [1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine?
[1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine has a molecular weight of 262.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethoxyphenyl)-5-ethyltriazol-4-yl]methanamine is sourced from PubChem (CID 82197909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).