[5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine

C15H16N4 — CID 82382269

IUPAC[5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine
SMILESCc1[nH]c2c(C)cccc2c1-c1cnc(CN)cn1
InChIInChI=1S/C15H16N4/c1-9-4-3-5-12-14(10(2)19-15(9)12)13-8-17-11(6-16)7-18-13/h3-5,7-8,19H,6,16H2,1-2H3
InChIKeyJODULMDYOBMFHO-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.70
Rot. Bonds2

About [5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine

[5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine (PubChem CID 82382269) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is [5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine
PubChem CID82382269
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name[5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine
SMILESCc1[nH]c2c(C)cccc2c1-c1cnc(CN)cn1
InChIInChI=1S/C15H16N4/c1-9-4-3-5-12-14(10(2)19-15(9)12)13-8-17-11(6-16)7-18-13/h3-5,7-8,19H,6,16H2,1-2H3
InChIKeyJODULMDYOBMFHO-UHFFFAOYSA-N
XLogP2.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine?
The IUPAC name of [5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine (CID 82382269) is [5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine?
The canonical SMILES for [5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine is Cc1[nH]c2c(C)cccc2c1-c1cnc(CN)cn1.
What is the InChIKey of [5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine?
The InChIKey is JODULMDYOBMFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-9-4-3-5-12-14(10(2)19-15(9)12)13-8-17-11(6-16)7-18-13/h3-5,7-8,19H,6,16H2,1-2H3.
What are the key properties of [5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine?
[5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine has a molecular weight of 252.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,7-dimethyl-1H-indol-3-yl)pyrazin-2-yl]methanamine is sourced from PubChem (CID 82382269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).