5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile

C10H7N3O — CID 164653145

IUPAC5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile
SMILESC#CC1(Oc2cnc(C#N)cn2)CC1
InChIInChI=1S/C10H7N3O/c1-2-10(3-4-10)14-9-7-12-8(5-11)6-13-9/h1,6-7H,3-4H2
InChIKeyIFHNOLQHFHJQGF-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.89
Rot. Bonds2

About 5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile

5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile (PubChem CID 164653145) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile
PubChem CID164653145
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile
SMILESC#CC1(Oc2cnc(C#N)cn2)CC1
InChIInChI=1S/C10H7N3O/c1-2-10(3-4-10)14-9-7-12-8(5-11)6-13-9/h1,6-7H,3-4H2
InChIKeyIFHNOLQHFHJQGF-UHFFFAOYSA-N
XLogP0.89
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile?
The IUPAC name of 5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile (CID 164653145) is 5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile.
What is the SMILES notation for 5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile?
The canonical SMILES for 5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile is C#CC1(Oc2cnc(C#N)cn2)CC1.
What is the InChIKey of 5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile?
The InChIKey is IFHNOLQHFHJQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c1-2-10(3-4-10)14-9-7-12-8(5-11)6-13-9/h1,6-7H,3-4H2.
What are the key properties of 5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile?
5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethynylcyclopropyl)oxypyrazine-2-carbonitrile is sourced from PubChem (CID 164653145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).