[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

C17H24ClN5O2 — CID 119649270

IUPAC[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)c1nnn(-c2ccc(OC)cc2)c1C.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-12-16(17(23)21-10-4-5-14(21)11-18-2)19-20-22(12)13-6-8-15(24-3)9-7-13;/h6-9,14,18H,4-5,10-11H2,1-3H3;1H
InChIKeyJFTYJGACMOLZPV-UHFFFAOYSA-N
MW365.87 g/mol
LogP1.83
Rot. Bonds5

About [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride

[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119649270) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119649270
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN1C(=O)c1nnn(-c2ccc(OC)cc2)c1C.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-12-16(17(23)21-10-4-5-14(21)11-18-2)19-20-22(12)13-6-8-15(24-3)9-7-13;/h6-9,14,18H,4-5,10-11H2,1-3H3;1H
InChIKeyJFTYJGACMOLZPV-UHFFFAOYSA-N
XLogP1.83
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649295
[2-(aminomethyl)pyrrolidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
CID 119632254
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651021
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119649859
[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 119651227
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119648885
2-(4-methoxyphenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119651488
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119648772
N-(4-methoxyphenyl)-1-[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 55872290
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119650990
1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119460716
(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)-[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 136513162

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119649270) is [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CNCC1CCCN1C(=O)c1nnn(-c2ccc(OC)cc2)c1C.Cl.
What is the InChIKey of [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is JFTYJGACMOLZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-12-16(17(23)21-10-4-5-14(21)11-18-2)19-20-22(12)13-6-8-15(24-3)9-7-13;/h6-9,14,18H,4-5,10-11H2,1-3H3;1H.
What are the key properties of [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119649270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).