N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide

C15H24N6O2 — CID 134796655

IUPACN-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide
SMILESCCN1CCN(C(=O)C2CCc3nnc(CNC(C)=O)n32)CC1
InChIInChI=1S/C15H24N6O2/c1-3-19-6-8-20(9-7-19)15(23)12-4-5-13-17-18-14(21(12)13)10-16-11(2)22/h12H,3-10H2,1-2H3,(H,16,22)
InChIKeyVLBUZWCKWNVROC-UHFFFAOYSA-N
MW320.40 g/mol
LogP-0.43
Rot. Bonds4

About N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide

N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide (PubChem CID 134796655) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide
PubChem CID134796655
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC NameN-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide
SMILESCCN1CCN(C(=O)C2CCc3nnc(CNC(C)=O)n32)CC1
InChIInChI=1S/C15H24N6O2/c1-3-19-6-8-20(9-7-19)15(23)12-4-5-13-17-18-14(21(12)13)10-16-11(2)22/h12H,3-10H2,1-2H3,(H,16,22)
InChIKeyVLBUZWCKWNVROC-UHFFFAOYSA-N
XLogP-0.43
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide?
The IUPAC name of N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide (CID 134796655) is N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide is CCN1CCN(C(=O)C2CCc3nnc(CNC(C)=O)n32)CC1.
What is the InChIKey of N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide?
The InChIKey is VLBUZWCKWNVROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-3-19-6-8-20(9-7-19)15(23)12-4-5-13-17-18-14(21(12)13)10-16-11(2)22/h12H,3-10H2,1-2H3,(H,16,22).
What are the key properties of N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide?
N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide has a molecular weight of 320.40 g/mol, XLogP of -0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide is sourced from PubChem (CID 134796655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).