(5-methylpyrazin-2-yl)methylcyanamide

C7H8N4 — CID 62846273

IUPAC(5-methylpyrazin-2-yl)methylcyanamide
SMILESCc1cnc(CNC#N)cn1
InChIInChI=1S/C7H8N4/c1-6-2-11-7(4-10-6)3-9-5-8/h2,4,9H,3H2,1H3
InChIKeyMZBSZGPVWVYHCY-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.36
Rot. Bonds2

About (5-methylpyrazin-2-yl)methylcyanamide

(5-methylpyrazin-2-yl)methylcyanamide (PubChem CID 62846273) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)methylcyanamide.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)methylcyanamide
PubChem CID62846273
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name(5-methylpyrazin-2-yl)methylcyanamide
SMILESCc1cnc(CNC#N)cn1
InChIInChI=1S/C7H8N4/c1-6-2-11-7(4-10-6)3-9-5-8/h2,4,9H,3H2,1H3
InChIKeyMZBSZGPVWVYHCY-UHFFFAOYSA-N
XLogP0.36
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)methylcyanamide?
The IUPAC name of (5-methylpyrazin-2-yl)methylcyanamide (CID 62846273) is (5-methylpyrazin-2-yl)methylcyanamide.
What is the SMILES notation for (5-methylpyrazin-2-yl)methylcyanamide?
The canonical SMILES for (5-methylpyrazin-2-yl)methylcyanamide is Cc1cnc(CNC#N)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)methylcyanamide?
The InChIKey is MZBSZGPVWVYHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-6-2-11-7(4-10-6)3-9-5-8/h2,4,9H,3H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)methylcyanamide?
(5-methylpyrazin-2-yl)methylcyanamide has a molecular weight of 148.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)methylcyanamide is sourced from PubChem (CID 62846273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).