N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C16H20N6O2 — CID 120566669

IUPACN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)Nc2ccc(-c3n[nH]c(CN)n3)cc2)CC1=O
InChIInChI=1S/C16H20N6O2/c1-2-22-9-11(7-14(22)23)16(24)18-12-5-3-10(4-6-12)15-19-13(8-17)20-21-15/h3-6,11H,2,7-9,17H2,1H3,(H,18,24)(H,19,20,21)
InChIKeyHNBWJCMQXGVTQV-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.74
Rot. Bonds5

About N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 120566669) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID120566669
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)Nc2ccc(-c3n[nH]c(CN)n3)cc2)CC1=O
InChIInChI=1S/C16H20N6O2/c1-2-22-9-11(7-14(22)23)16(24)18-12-5-3-10(4-6-12)15-19-13(8-17)20-21-15/h3-6,11H,2,7-9,17H2,1H3,(H,18,24)(H,19,20,21)
InChIKeyHNBWJCMQXGVTQV-UHFFFAOYSA-N
XLogP0.74
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 126791872
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-propanoylpiperidine-2-carboxamide
CID 120566427
3-N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120566277
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 120566495
(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 94092655
N-[4-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]anilino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120566792
2-[4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 43358506
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]oxane-2-carboxamide
CID 120566581
(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 94183042
1-ethyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 61393728
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-propoxyacetamide
CID 120566401
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(diethylamino)acetamide;dihydrochloride
CID 120566238

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 120566669) is N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)Nc2ccc(-c3n[nH]c(CN)n3)cc2)CC1=O.
What is the InChIKey of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HNBWJCMQXGVTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-2-22-9-11(7-14(22)23)16(24)18-12-5-3-10(4-6-12)15-19-13(8-17)20-21-15/h3-6,11H,2,7-9,17H2,1H3,(H,18,24)(H,19,20,21).
What are the key properties of N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120566669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).