3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile

C9H13N5 — CID 126986977

IUPAC3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile
SMILESCCNc1cncc(NCCC#N)n1
InChIInChI=1S/C9H13N5/c1-2-12-8-6-11-7-9(14-8)13-5-3-4-10/h6-7H,2-3,5H2,1H3,(H2,12,13,14)
InChIKeyGZDZRDCBTYCWGD-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.23
Rot. Bonds5

About 3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile

3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile (PubChem CID 126986977) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile
PubChem CID126986977
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile
SMILESCCNc1cncc(NCCC#N)n1
InChIInChI=1S/C9H13N5/c1-2-12-8-6-11-7-9(14-8)13-5-3-4-10/h6-7H,2-3,5H2,1H3,(H2,12,13,14)
InChIKeyGZDZRDCBTYCWGD-UHFFFAOYSA-N
XLogP1.23
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-ethyl-2-N-(3-methylbutyl)pyrazine-2,6-diamine
CID 78917989
2-N-ethylpyrazine-2,6-diamine
CID 69290778
1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80843498
6-N-ethyl-2-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,6-diamine
CID 78990309
2-N-(2-butoxyethyl)-6-N-ethylpyrazine-2,6-diamine
CID 78918192
6-(but-3-ynylamino)pyrazine-2-carbonitrile
CID 164644069
6-N-ethyl-2-N-(2-pyridin-3-ylethyl)pyrazine-2,6-diamine
CID 78990149
2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80763352
1-[[6-(ethylamino)pyrazin-2-yl]amino]propan-2-ol
CID 78990450
2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile
CID 80822691
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063
6-N-ethyl-2-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazine-2,6-diamine
CID 80848530

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile?
The IUPAC name of 3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile (CID 126986977) is 3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile.
What is the SMILES notation for 3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile?
The canonical SMILES for 3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile is CCNc1cncc(NCCC#N)n1.
What is the InChIKey of 3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile?
The InChIKey is GZDZRDCBTYCWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-2-12-8-6-11-7-9(14-8)13-5-3-4-10/h6-7H,2-3,5H2,1H3,(H2,12,13,14).
What are the key properties of 3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile?
3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile has a molecular weight of 191.24 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)pyrazin-2-yl]amino]propanenitrile is sourced from PubChem (CID 126986977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).