N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide

C13H19N7O — CID 118739363

IUPACN,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C(=O)N(C)C
InChIInChI=1S/C13H19N7O/c1-10-12-15-6-11(7-18-9-14-8-16-18)20(12)5-4-19(10)13(21)17(2)3/h6,8-10H,4-5,7H2,1-3H3
InChIKeyNEWSMZWWFYDTTH-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.58
Rot. Bonds2

About N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide

N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (PubChem CID 118739363) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
PubChem CID118739363
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESCC1c2ncc(Cn3cncn3)n2CCN1C(=O)N(C)C
InChIInChI=1S/C13H19N7O/c1-10-12-15-6-11(7-18-9-14-8-16-18)20(12)5-4-19(10)13(21)17(2)3/h6,8-10H,4-5,7H2,1-3H3
InChIKeyNEWSMZWWFYDTTH-UHFFFAOYSA-N
XLogP0.58
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (CID 118739363) is N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is CC1c2ncc(Cn3cncn3)n2CCN1C(=O)N(C)C.
What is the InChIKey of N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is NEWSMZWWFYDTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-10-12-15-6-11(7-18-9-14-8-16-18)20(12)5-4-19(10)13(21)17(2)3/h6,8-10H,4-5,7H2,1-3H3.
What are the key properties of N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 118739363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).