3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine

C14H17N5 — CID 68639972

IUPAC3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine
SMILESNC1N=CC=NC1(N)CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H17N5/c15-13-14(16,19-8-7-17-13)6-5-10-9-18-12-4-2-1-3-11(10)12/h1-4,7-9,13,18H,5-6,15-16H2
InChIKeyVQZAPOVWHFFLTE-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.20
Rot. Bonds3

About 3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine

3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine (PubChem CID 68639972) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine
PubChem CID68639972
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine
SMILESNC1N=CC=NC1(N)CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H17N5/c15-13-14(16,19-8-7-17-13)6-5-10-9-18-12-4-2-1-3-11(10)12/h1-4,7-9,13,18H,5-6,15-16H2
InChIKeyVQZAPOVWHFFLTE-UHFFFAOYSA-N
XLogP1.20
TPSA92.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine
CID 164664078
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CID 57060044
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
3-(1H-indol-3-yl)propanethioamide
CID 3979253
3-ethyl-1H-indole;methanamine
CID 142222050
3-but-3-enyl-1H-indole
CID 57142098

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine (CID 68639972) is 3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine is NC1N=CC=NC1(N)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine?
The InChIKey is VQZAPOVWHFFLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c15-13-14(16,19-8-7-17-13)6-5-10-9-18-12-4-2-1-3-11(10)12/h1-4,7-9,13,18H,5-6,15-16H2.
What are the key properties of 3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine?
3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine has a molecular weight of 255.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine is sourced from PubChem (CID 68639972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).