5-methyl-N-pentylpyrazin-2-amine

C10H17N3 — CID 143786994

IUPAC5-methyl-N-pentylpyrazin-2-amine
SMILESCCCCCNc1cnc(C)cn1
InChIInChI=1S/C10H17N3/c1-3-4-5-6-11-10-8-12-9(2)7-13-10/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyIMKNMSHBDYKUFC-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.39
Rot. Bonds5

About 5-methyl-N-pentylpyrazin-2-amine

5-methyl-N-pentylpyrazin-2-amine (PubChem CID 143786994) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-methyl-N-pentylpyrazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-pentylpyrazin-2-amine
PubChem CID143786994
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-methyl-N-pentylpyrazin-2-amine
SMILESCCCCCNc1cnc(C)cn1
InChIInChI=1S/C10H17N3/c1-3-4-5-6-11-10-8-12-9(2)7-13-10/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyIMKNMSHBDYKUFC-UHFFFAOYSA-N
XLogP2.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pentylpyrazin-2-amine?
The IUPAC name of 5-methyl-N-pentylpyrazin-2-amine (CID 143786994) is 5-methyl-N-pentylpyrazin-2-amine.
What is the SMILES notation for 5-methyl-N-pentylpyrazin-2-amine?
The canonical SMILES for 5-methyl-N-pentylpyrazin-2-amine is CCCCCNc1cnc(C)cn1.
What is the InChIKey of 5-methyl-N-pentylpyrazin-2-amine?
The InChIKey is IMKNMSHBDYKUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-4-5-6-11-10-8-12-9(2)7-13-10/h7-8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-N-pentylpyrazin-2-amine?
5-methyl-N-pentylpyrazin-2-amine has a molecular weight of 179.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pentylpyrazin-2-amine is sourced from PubChem (CID 143786994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).