N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen

C14H12F3IN4 — CID 167648686

IUPACN-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen
SMILESFC(F)(F)c1cn2c(I)cnc2c(NCc2ccccc2)n1.[H][H]
InChIInChI=1S/C14H10F3IN4.H2/c15-14(16,17)10-8-22-11(18)7-20-13(22)12(21-10)19-6-9-4-2-1-3-5-9;/h1-5,7-8H,6H2,(H,19,21);1H
InChIKeyQGHYRNQAVWKFDF-UHFFFAOYSA-N
MW420.18 g/mol
LogP4.21
Rot. Bonds3

About N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen

N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen (PubChem CID 167648686) has the molecular formula C14H12F3IN4 and a molecular weight of 420.18 g/mol. Its IUPAC name is N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen.

Molecular Properties

Compound NameN-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen
PubChem CID167648686
Molecular FormulaC14H12F3IN4
Molecular Weight420.18 g/mol
Exact Mass420.01
IUPAC NameN-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen
SMILESFC(F)(F)c1cn2c(I)cnc2c(NCc2ccccc2)n1.[H][H]
InChIInChI=1S/C14H10F3IN4.H2/c15-14(16,17)10-8-22-11(18)7-20-13(22)12(21-10)19-6-9-4-2-1-3-5-9;/h1-5,7-8H,6H2,(H,19,21);1H
InChIKeyQGHYRNQAVWKFDF-UHFFFAOYSA-N
XLogP4.21
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.18
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine
CID 90937044
3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 10452345
2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876068
3-benzyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 142876884
N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381227
3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 20814323
6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 10452536
6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 59263750
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
3-bromo-6-phenyl-N-(2-pyridin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine
CID 10318453
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
5-bromo-6-(2-chlorophenyl)-3-iodo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;N-(3-bromo-6-phenylimidazo[1,2-a]pyrazin-8-yl)acetamide;3-bromo-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-6-phenyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
CID 159302990

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen?
The IUPAC name of N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen (CID 167648686) is N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen.
What is the SMILES notation for N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen?
The canonical SMILES for N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen is FC(F)(F)c1cn2c(I)cnc2c(NCc2ccccc2)n1.[H][H].
What is the InChIKey of N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen?
The InChIKey is QGHYRNQAVWKFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3IN4.H2/c15-14(16,17)10-8-22-11(18)7-20-13(22)12(21-10)19-6-9-4-2-1-3-5-9;/h1-5,7-8H,6H2,(H,19,21);1H.
What are the key properties of N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen?
N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen has a molecular weight of 420.18 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-iodo-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine;molecular hydrogen is sourced from PubChem (CID 167648686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).