ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate

C16H19N3O2 — CID 145083417

IUPACethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate
SMILESCC.O=C(Nc1cnc(C2CC2)cn1)Oc1ccccc1
InChIInChI=1S/C14H13N3O2.C2H6/c18-14(19-11-4-2-1-3-5-11)17-13-9-15-12(8-16-13)10-6-7-10;1-2/h1-5,8-10H,6-7H2,(H,16,17,18);1-2H3
InChIKeyJMMDWOPSZWRZMA-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.99
Rot. Bonds3

About ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate

ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate (PubChem CID 145083417) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate.

Molecular Properties

Compound Nameethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate
PubChem CID145083417
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nameethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate
SMILESCC.O=C(Nc1cnc(C2CC2)cn1)Oc1ccccc1
InChIInChI=1S/C14H13N3O2.C2H6/c18-14(19-11-4-2-1-3-5-11)17-13-9-15-12(8-16-13)10-6-7-10;1-2/h1-5,8-10H,6-7H2,(H,16,17,18);1-2H3
InChIKeyJMMDWOPSZWRZMA-UHFFFAOYSA-N
XLogP3.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate?
The IUPAC name of ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate (CID 145083417) is ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate.
What is the SMILES notation for ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate?
The canonical SMILES for ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate is CC.O=C(Nc1cnc(C2CC2)cn1)Oc1ccccc1.
What is the InChIKey of ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate?
The InChIKey is JMMDWOPSZWRZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2.C2H6/c18-14(19-11-4-2-1-3-5-11)17-13-9-15-12(8-16-13)10-6-7-10;1-2/h1-5,8-10H,6-7H2,(H,16,17,18);1-2H3.
What are the key properties of ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate?
ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate has a molecular weight of 285.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenyl N-(5-cyclopropylpyrazin-2-yl)carbamate is sourced from PubChem (CID 145083417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).