3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide

C15H19N5O — CID 122185569

IUPAC3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1nc(-c2cccc(N)c2)cnc1N
InChIInChI=1S/C15H19N5O/c1-3-9(2)19-15(21)13-14(17)18-8-12(20-13)10-5-4-6-11(16)7-10/h4-9H,3,16H2,1-2H3,(H2,17,18)(H,19,21)
InChIKeyNGQQSGMCVZFTQS-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.84
Rot. Bonds4

About 3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide

3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide (PubChem CID 122185569) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide
PubChem CID122185569
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1nc(-c2cccc(N)c2)cnc1N
InChIInChI=1S/C15H19N5O/c1-3-9(2)19-15(21)13-14(17)18-8-12(20-13)10-5-4-6-11(16)7-10/h4-9H,3,16H2,1-2H3,(H2,17,18)(H,19,21)
InChIKeyNGQQSGMCVZFTQS-UHFFFAOYSA-N
XLogP1.84
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide (CID 122185569) is 3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide is CCC(C)NC(=O)c1nc(-c2cccc(N)c2)cnc1N.
What is the InChIKey of 3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide?
The InChIKey is NGQQSGMCVZFTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-3-9(2)19-15(21)13-14(17)18-8-12(20-13)10-5-4-6-11(16)7-10/h4-9H,3,16H2,1-2H3,(H2,17,18)(H,19,21).
What are the key properties of 3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide?
3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-aminophenyl)-N-butan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 122185569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).