acetylene;butane;N-pyrazin-2-ylformamide

C11H17N3O — CID 143752178

IUPACacetylene;butane;N-pyrazin-2-ylformamide
SMILESC#C.CCCC.O=CNc1cnccn1
InChIInChI=1S/C5H5N3O.C4H10.C2H2/c9-4-8-5-3-6-1-2-7-5;1-3-4-2;1-2/h1-4H,(H,7,8,9);3-4H2,1-2H3;1-2H
InChIKeyICSXYYHTASZWCM-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.10
Rot. Bonds3

About acetylene;butane;N-pyrazin-2-ylformamide

acetylene;butane;N-pyrazin-2-ylformamide (PubChem CID 143752178) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is acetylene;butane;N-pyrazin-2-ylformamide.

Molecular Properties

Compound Nameacetylene;butane;N-pyrazin-2-ylformamide
PubChem CID143752178
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Nameacetylene;butane;N-pyrazin-2-ylformamide
SMILESC#C.CCCC.O=CNc1cnccn1
InChIInChI=1S/C5H5N3O.C4H10.C2H2/c9-4-8-5-3-6-1-2-7-5;1-3-4-2;1-2/h1-4H,(H,7,8,9);3-4H2,1-2H3;1-2H
InChIKeyICSXYYHTASZWCM-UHFFFAOYSA-N
XLogP2.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;butane;N-pyrazin-2-ylformamide?
The IUPAC name of acetylene;butane;N-pyrazin-2-ylformamide (CID 143752178) is acetylene;butane;N-pyrazin-2-ylformamide.
What is the SMILES notation for acetylene;butane;N-pyrazin-2-ylformamide?
The canonical SMILES for acetylene;butane;N-pyrazin-2-ylformamide is C#C.CCCC.O=CNc1cnccn1.
What is the InChIKey of acetylene;butane;N-pyrazin-2-ylformamide?
The InChIKey is ICSXYYHTASZWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O.C4H10.C2H2/c9-4-8-5-3-6-1-2-7-5;1-3-4-2;1-2/h1-4H,(H,7,8,9);3-4H2,1-2H3;1-2H.
What are the key properties of acetylene;butane;N-pyrazin-2-ylformamide?
acetylene;butane;N-pyrazin-2-ylformamide has a molecular weight of 207.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;butane;N-pyrazin-2-ylformamide is sourced from PubChem (CID 143752178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).