N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide

C17H24N6O2 — CID 75440808

IUPACN-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)N1CCN(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1
InChIInChI=1S/C17H24N6O2/c1-13(2)21-8-10-22(11-9-21)16(24)19-14-4-6-15(7-5-14)23-17(25)20(3)12-18-23/h4-7,12-13H,8-11H2,1-3H3,(H,19,24)
InChIKeyMTGLBWJBQVXGSQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.13
Rot. Bonds3

About N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide

N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 75440808) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID75440808
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)N1CCN(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1
InChIInChI=1S/C17H24N6O2/c1-13(2)21-8-10-22(11-9-21)16(24)19-14-4-6-15(7-5-14)23-17(25)20(3)12-18-23/h4-7,12-13H,8-11H2,1-3H3,(H,19,24)
InChIKeyMTGLBWJBQVXGSQ-UHFFFAOYSA-N
XLogP1.13
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide (CID 75440808) is N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide is CC(C)N1CCN(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1.
What is the InChIKey of N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is MTGLBWJBQVXGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13(2)21-8-10-22(11-9-21)16(24)19-14-4-6-15(7-5-14)23-17(25)20(3)12-18-23/h4-7,12-13H,8-11H2,1-3H3,(H,19,24).
What are the key properties of N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide?
N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 75440808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).