phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate

C13H15N3O2 — CID 89172556

IUPACphenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate
SMILESCC1=CN=C(NC(=O)Oc2ccccc2)CN1C
InChIInChI=1S/C13H15N3O2/c1-10-8-14-12(9-16(10)2)15-13(17)18-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,14,15,17)
InChIKeyNDHJIZFGQUQKLJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.98
Rot. Bonds1

About phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate

phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate (PubChem CID 89172556) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate
PubChem CID89172556
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namephenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate
SMILESCC1=CN=C(NC(=O)Oc2ccccc2)CN1C
InChIInChI=1S/C13H15N3O2/c1-10-8-14-12(9-16(10)2)15-13(17)18-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,14,15,17)
InChIKeyNDHJIZFGQUQKLJ-UHFFFAOYSA-N
XLogP1.98
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate?
The IUPAC name of phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate (CID 89172556) is phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate.
What is the SMILES notation for phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate?
The canonical SMILES for phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate is CC1=CN=C(NC(=O)Oc2ccccc2)CN1C.
What is the InChIKey of phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate?
The InChIKey is NDHJIZFGQUQKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-8-14-12(9-16(10)2)15-13(17)18-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,14,15,17).
What are the key properties of phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate?
phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate has a molecular weight of 245.28 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1,6-dimethyl-2H-pyrazin-3-yl)carbamate is sourced from PubChem (CID 89172556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).