N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide

C13H19N7O — CID 97390308

IUPACN,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide
SMILESCN(C)C(=O)CN1CCn2cc(Cn3cncn3)nc2C1
InChIInChI=1S/C13H19N7O/c1-17(2)13(21)8-18-3-4-19-5-11(16-12(19)7-18)6-20-10-14-9-15-20/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyZNKWOAIILGVKHB-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.57
Rot. Bonds4

About N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide

N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide (PubChem CID 97390308) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide
PubChem CID97390308
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide
SMILESCN(C)C(=O)CN1CCn2cc(Cn3cncn3)nc2C1
InChIInChI=1S/C13H19N7O/c1-17(2)13(21)8-18-3-4-19-5-11(16-12(19)7-18)6-20-10-14-9-15-20/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyZNKWOAIILGVKHB-UHFFFAOYSA-N
XLogP-0.57
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide (CID 97390308) is N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide is CN(C)C(=O)CN1CCn2cc(Cn3cncn3)nc2C1.
What is the InChIKey of N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide?
The InChIKey is ZNKWOAIILGVKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-17(2)13(21)8-18-3-4-19-5-11(16-12(19)7-18)6-20-10-14-9-15-20/h5,9-10H,3-4,6-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide?
N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide has a molecular weight of 289.34 g/mol, XLogP of -0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide is sourced from PubChem (CID 97390308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).