1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine

C15H22N4O — CID 107431439

IUPAC1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1c(C(CC)NC)nnn1-c1cccc(OC)c1
InChIInChI=1S/C15H22N4O/c1-5-13(16-3)15-14(6-2)19(18-17-15)11-8-7-9-12(10-11)20-4/h7-10,13,16H,5-6H2,1-4H3
InChIKeyMKBAMYXJBNFDGP-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.51
Rot. Bonds6

About 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine

1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine (PubChem CID 107431439) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine
PubChem CID107431439
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine
SMILESCCc1c(C(CC)NC)nnn1-c1cccc(OC)c1
InChIInChI=1S/C15H22N4O/c1-5-13(16-3)15-14(6-2)19(18-17-15)11-8-7-9-12(10-11)20-4/h7-10,13,16H,5-6H2,1-4H3
InChIKeyMKBAMYXJBNFDGP-UHFFFAOYSA-N
XLogP2.51
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(4-chloro-3-methoxyphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107622879
1-[1-(3,4-difluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431541
1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine
CID 107589592
1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine
CID 107431483
1-[1-(3-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431788
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one
CID 107431322
1-[1-(2,4-dibromophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431655
1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431522
1-[1-(2-bromo-5-methylphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431748
1-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431480
1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431611
5-ethyl-N-(3-methoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 15944215

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine (CID 107431439) is 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine is CCc1c(C(CC)NC)nnn1-c1cccc(OC)c1.
What is the InChIKey of 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is MKBAMYXJBNFDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-13(16-3)15-14(6-2)19(18-17-15)11-8-7-9-12(10-11)20-4/h7-10,13,16H,5-6H2,1-4H3.
What are the key properties of 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine?
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 107431439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).