N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide

C16H13F3N6 — CID 134313538

IUPACN-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide
SMILES[H]/N=C(\N=C(/N)C(F)(F)F)c1cn2ccnc2c(Cc2ccccc2)n1
InChIInChI=1S/C16H13F3N6/c17-16(18,19)15(21)24-13(20)12-9-25-7-6-22-14(25)11(23-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H3,20,21,24)
InChIKeyNADWSGZFFJHZBI-UHFFFAOYSA-N
MW346.32 g/mol
LogP2.56
Rot. Bonds3

About N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide

N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide (PubChem CID 134313538) has the molecular formula C16H13F3N6 and a molecular weight of 346.32 g/mol. Its IUPAC name is N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide.

Molecular Properties

Compound NameN-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide
PubChem CID134313538
Molecular FormulaC16H13F3N6
Molecular Weight346.32 g/mol
Exact Mass346.12
IUPAC NameN-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide
SMILES[H]/N=C(\N=C(/N)C(F)(F)F)c1cn2ccnc2c(Cc2ccccc2)n1
InChIInChI=1S/C16H13F3N6/c17-16(18,19)15(21)24-13(20)12-9-25-7-6-22-14(25)11(23-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H3,20,21,24)
InChIKeyNADWSGZFFJHZBI-UHFFFAOYSA-N
XLogP2.56
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide?
The IUPAC name of N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide (CID 134313538) is N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide.
What is the SMILES notation for N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide?
The canonical SMILES for N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide is [H]/N=C(\N=C(/N)C(F)(F)F)c1cn2ccnc2c(Cc2ccccc2)n1.
What is the InChIKey of N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide?
The InChIKey is NADWSGZFFJHZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6/c17-16(18,19)15(21)24-13(20)12-9-25-7-6-22-14(25)11(23-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H3,20,21,24).
What are the key properties of N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide?
N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide has a molecular weight of 346.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,2,2-trifluoroethylidene)-8-benzylimidazo[1,2-a]pyrazine-6-carboximidamide is sourced from PubChem (CID 134313538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).