N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride

C15H20ClN5O2 — CID 119776095

IUPACN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)C3CCNC3)n2)cc1.Cl
InChIInChI=1S/C15H19N5O2.ClH/c1-22-12-4-2-10(3-5-12)14-18-13(19-20-14)9-17-15(21)11-6-7-16-8-11;/h2-5,11,16H,6-9H2,1H3,(H,17,21)(H,18,19,20);1H
InChIKeyXKTGRHCNDIDWIU-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.13
Rot. Bonds5

About N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride

N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119776095) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119776095
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC NameN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)C3CCNC3)n2)cc1.Cl
InChIInChI=1S/C15H19N5O2.ClH/c1-22-12-4-2-10(3-5-12)14-18-13(19-20-14)9-17-15(21)11-6-7-16-8-11;/h2-5,11,16H,6-9H2,1H3,(H,17,21)(H,18,19,20);1H
InChIKeyXKTGRHCNDIDWIU-UHFFFAOYSA-N
XLogP1.13
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119319176
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119319162
N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119806005
N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 119315545
N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
CID 119315533
tert-butyl 4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 56524382
3-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119776062
1-(3,5-dimethylbenzoyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
CID 56524012
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119319165
1-(5-chloro-2-pyridinyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
CID 56523582
4-iodo-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524317
(2S)-2-amino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide;hydrochloride
CID 119319166

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119776095) is N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride is COc1ccc(-c2n[nH]c(CNC(=O)C3CCNC3)n2)cc1.Cl.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XKTGRHCNDIDWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.ClH/c1-22-12-4-2-10(3-5-12)14-18-13(19-20-14)9-17-15(21)11-6-7-16-8-11;/h2-5,11,16H,6-9H2,1H3,(H,17,21)(H,18,19,20);1H.
What are the key properties of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119776095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).