[5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine

C16H18N4 — CID 176926250

IUPAC[5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine
SMILESCC(C)c1cc2ccc(-c3cnc(CN)cn3)cc2[nH]1
InChIInChI=1S/C16H18N4/c1-10(2)14-5-11-3-4-12(6-15(11)20-14)16-9-18-13(7-17)8-19-16/h3-6,8-10,20H,7,17H2,1-2H3
InChIKeyHIGKAKUMRUTYJW-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.21
Rot. Bonds3

About [5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine

[5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine (PubChem CID 176926250) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is [5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine
PubChem CID176926250
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name[5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine
SMILESCC(C)c1cc2ccc(-c3cnc(CN)cn3)cc2[nH]1
InChIInChI=1S/C16H18N4/c1-10(2)14-5-11-3-4-12(6-15(11)20-14)16-9-18-13(7-17)8-19-16/h3-6,8-10,20H,7,17H2,1-2H3
InChIKeyHIGKAKUMRUTYJW-UHFFFAOYSA-N
XLogP3.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine?
The IUPAC name of [5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine (CID 176926250) is [5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for [5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine is CC(C)c1cc2ccc(-c3cnc(CN)cn3)cc2[nH]1.
What is the InChIKey of [5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine?
The InChIKey is HIGKAKUMRUTYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10(2)14-5-11-3-4-12(6-15(11)20-14)16-9-18-13(7-17)8-19-16/h3-6,8-10,20H,7,17H2,1-2H3.
What are the key properties of [5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine?
[5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine has a molecular weight of 266.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-propan-2-yl-1H-indol-6-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 176926250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).