3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile

C10H15N5O — CID 104594134

IUPAC3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile
SMILESCC(O)CNCCNc1nccnc1C#N
InChIInChI=1S/C10H15N5O/c1-8(16)7-12-2-3-14-10-9(6-11)13-4-5-15-10/h4-5,8,12,16H,2-3,7H2,1H3,(H,14,15)
InChIKeyKHKXDBCQKKYMQI-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.27
Rot. Bonds6

About 3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile

3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile (PubChem CID 104594134) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile
PubChem CID104594134
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile
SMILESCC(O)CNCCNc1nccnc1C#N
InChIInChI=1S/C10H15N5O/c1-8(16)7-12-2-3-14-10-9(6-11)13-4-5-15-10/h4-5,8,12,16H,2-3,7H2,1H3,(H,14,15)
InChIKeyKHKXDBCQKKYMQI-UHFFFAOYSA-N
XLogP-0.27
TPSA93.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxypropylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 104594443
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
3-(2-aminopropylamino)pyrazine-2-carbonitrile
CID 63731086
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
2-[(3-cyanopyrazin-2-yl)amino]ethylurea
CID 78993991
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465
3-(4-methoxybutylamino)pyrazine-2-carbonitrile
CID 62673581
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile
CID 62673246
3-(3,3-dimethylbutan-2-ylamino)pyrazine-2-carbonitrile
CID 104828363
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrazine-2-carbonitrile
CID 62866188
3-[(2-amino-2-ethylbutyl)amino]pyrazine-2-carbonitrile
CID 115306176

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile (CID 104594134) is 3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile is CC(O)CNCCNc1nccnc1C#N.
What is the InChIKey of 3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile?
The InChIKey is KHKXDBCQKKYMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-8(16)7-12-2-3-14-10-9(6-11)13-4-5-15-10/h4-5,8,12,16H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile?
3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 104594134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).