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

C17H24N6O — CID 51084734

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C17H24N6O/c1-3-21-13-19-20-16(21)12-18-17(24)23-9-7-22(8-10-23)15-6-4-5-14(2)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,18,24)
InChIKeyDFJJHJFKLRAXRV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.64
Rot. Bonds4

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 51084734) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID51084734
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C17H24N6O/c1-3-21-13-19-20-16(21)12-18-17(24)23-9-7-22(8-10-23)15-6-4-5-14(2)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,18,24)
InChIKeyDFJJHJFKLRAXRV-UHFFFAOYSA-N
XLogP1.64
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide (CID 51084734) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is DFJJHJFKLRAXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-21-13-19-20-16(21)12-18-17(24)23-9-7-22(8-10-23)15-6-4-5-14(2)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,18,24).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 51084734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).