N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

C17H24N6O2 — CID 51084714

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H24N6O2/c1-3-21-13-19-20-16(21)12-18-17(24)23-10-8-22(9-11-23)14-6-4-5-7-15(14)25-2/h4-7,13H,3,8-12H2,1-2H3,(H,18,24)
InChIKeyMQIIVICZJULBDP-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.34
Rot. Bonds5

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 51084714) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID51084714
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C17H24N6O2/c1-3-21-13-19-20-16(21)12-18-17(24)23-10-8-22(9-11-23)14-6-4-5-7-15(14)25-2/h4-7,13H,3,8-12H2,1-2H3,(H,18,24)
InChIKeyMQIIVICZJULBDP-UHFFFAOYSA-N
XLogP1.34
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 51084714) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is MQIIVICZJULBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-21-13-19-20-16(21)12-18-17(24)23-10-8-22(9-11-23)14-6-4-5-7-15(14)25-2/h4-7,13H,3,8-12H2,1-2H3,(H,18,24).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 51084714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).