N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide

C8H13N3O — CID 57080970

IUPACN-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide
SMILESCN1C=CN=C(CCNC=O)C1
InChIInChI=1S/C8H13N3O/c1-11-5-4-10-8(6-11)2-3-9-7-12/h4-5,7H,2-3,6H2,1H3,(H,9,12)
InChIKeyDUAGQYICWUTPDB-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.02
Rot. Bonds4

About N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide

N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide (PubChem CID 57080970) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide
PubChem CID57080970
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide
SMILESCN1C=CN=C(CCNC=O)C1
InChIInChI=1S/C8H13N3O/c1-11-5-4-10-8(6-11)2-3-9-7-12/h4-5,7H,2-3,6H2,1H3,(H,9,12)
InChIKeyDUAGQYICWUTPDB-UHFFFAOYSA-N
XLogP-0.02
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide?
The IUPAC name of N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide (CID 57080970) is N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide?
The canonical SMILES for N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide is CN1C=CN=C(CCNC=O)C1.
What is the InChIKey of N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide?
The InChIKey is DUAGQYICWUTPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-5-4-10-8(6-11)2-3-9-7-12/h4-5,7H,2-3,6H2,1H3,(H,9,12).
What are the key properties of N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide?
N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide has a molecular weight of 167.21 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]formamide is sourced from PubChem (CID 57080970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).