3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide

C16H18N4O — CID 160770558

IUPAC3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(C2CCCc3ccccc3C2)nc1N
InChIInChI=1S/C16H18N4O/c17-15-14(16(18)21)19-9-13(20-15)12-7-3-6-10-4-1-2-5-11(10)8-12/h1-2,4-5,9,12H,3,6-8H2,(H2,17,20)(H2,18,21)
InChIKeyRZGIPJGCUPQVNW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.82
Rot. Bonds2

About 3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide

3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide (PubChem CID 160770558) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide
PubChem CID160770558
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(C2CCCc3ccccc3C2)nc1N
InChIInChI=1S/C16H18N4O/c17-15-14(16(18)21)19-9-13(20-15)12-7-3-6-10-4-1-2-5-11(10)8-12/h1-2,4-5,9,12H,3,6-8H2,(H2,17,20)(H2,18,21)
InChIKeyRZGIPJGCUPQVNW-UHFFFAOYSA-N
XLogP1.82
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide (CID 160770558) is 3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide is NC(=O)c1ncc(C2CCCc3ccccc3C2)nc1N.
What is the InChIKey of 3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide?
The InChIKey is RZGIPJGCUPQVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-15-14(16(18)21)19-9-13(20-15)12-7-3-6-10-4-1-2-5-11(10)8-12/h1-2,4-5,9,12H,3,6-8H2,(H2,17,20)(H2,18,21).
What are the key properties of 3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide?
3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 160770558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).