2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine

C12H13N5 — CID 121213914

IUPAC2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine
SMILESC#CCn1cc(CCN)c(-c2cnccn2)n1
InChIInChI=1S/C12H13N5/c1-2-7-17-9-10(3-4-13)12(16-17)11-8-14-5-6-15-11/h1,5-6,8-9H,3-4,7,13H2
InChIKeyRSZHYCWAMSQYAO-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.47
Rot. Bonds4

About 2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine

2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine (PubChem CID 121213914) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine
PubChem CID121213914
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine
SMILESC#CCn1cc(CCN)c(-c2cnccn2)n1
InChIInChI=1S/C12H13N5/c1-2-7-17-9-10(3-4-13)12(16-17)11-8-14-5-6-15-11/h1,5-6,8-9H,3-4,7,13H2
InChIKeyRSZHYCWAMSQYAO-UHFFFAOYSA-N
XLogP0.47
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(hydroxymethyl)-3-pyrazin-2-ylpyrazol-1-yl]acetonitrile
CID 121213349
2-(1-prop-2-ynylpyrazol-3-yl)pyrazine
CID 121211848
1-propyl-3-pyrazin-2-ylpyrazol-4-amine
CID 83222398
1-(3-methylbutyl)-3-pyrazin-2-ylpyrazol-4-amine
CID 83222881
2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine
CID 121211870
2-(4-cyano-3-pyrazin-2-ylpyrazol-1-yl)acetic acid
CID 121213458
2-(4-bromo-5-methyl-3-pyrazin-2-ylpyrazol-1-yl)ethanamine
CID 121211545
2-[3-(4-fluorophenyl)-1-prop-2-ynylpyrazol-4-yl]pyridine
CID 23068541
1-tert-butyl-3-pyrazin-2-ylpyrazol-4-amine
CID 83222452
tris(2-pyrazin-2-ylpyrazine);ruthenium(1+)
CID 138986841
2-(3-pyrazin-2-yl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethanamine
CID 59811041
(1-prop-2-ynylpyrazol-4-yl)methanamine;dihydrochloride
CID 86811710

Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine (CID 121213914) is 2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine is C#CCn1cc(CCN)c(-c2cnccn2)n1.
What is the InChIKey of 2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine?
The InChIKey is RSZHYCWAMSQYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-2-7-17-9-10(3-4-13)12(16-17)11-8-14-5-6-15-11/h1,5-6,8-9H,3-4,7,13H2.
What are the key properties of 2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine?
2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine has a molecular weight of 227.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-ynyl-3-pyrazin-2-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 121213914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).