N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide

C16H24N6O2 — CID 51103958

IUPACN-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide
SMILESCn1c(CN2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C1CC1
InChIInChI=1S/C16H24N6O2/c1-20-13(18-19-14(20)11-2-3-11)10-21-6-8-22(9-7-21)16(24)15(23)17-12-4-5-12/h11-12H,2-10H2,1H3,(H,17,23)
InChIKeyGFQKKHHJLFEKPI-UHFFFAOYSA-N
MW332.41 g/mol
LogP-0.38
Rot. Bonds4

About N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide

N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide (PubChem CID 51103958) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide
PubChem CID51103958
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide
SMILESCn1c(CN2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C1CC1
InChIInChI=1S/C16H24N6O2/c1-20-13(18-19-14(20)11-2-3-11)10-21-6-8-22(9-7-21)16(24)15(23)17-12-4-5-12/h11-12H,2-10H2,1H3,(H,17,23)
InChIKeyGFQKKHHJLFEKPI-UHFFFAOYSA-N
XLogP-0.38
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide (CID 51103958) is N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide is Cn1c(CN2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide?
The InChIKey is GFQKKHHJLFEKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-20-13(18-19-14(20)11-2-3-11)10-21-6-8-22(9-7-21)16(24)15(23)17-12-4-5-12/h11-12H,2-10H2,1H3,(H,17,23).
What are the key properties of N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide?
N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide has a molecular weight of 332.41 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 51103958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).