guanidine;bis(1H-indole);pyrazine

C21H23N7 — CID 172788892

IUPACguanidine;bis(1H-indole);pyrazine
SMILES[H]N=C(N)N.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1cnccn1
InChIInChI=1S/2C8H7N.C4H4N2.CH5N3/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-3-5-1;2-1(3)4/h2*1-6,9H;1-4H;(H5,2,3,4)
InChIKeyPHBIFPJOKSJDKU-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.65
Rot. Bonds

About guanidine;bis(1H-indole);pyrazine

guanidine;bis(1H-indole);pyrazine (PubChem CID 172788892) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is guanidine;bis(1H-indole);pyrazine.

Molecular Properties

Compound Nameguanidine;bis(1H-indole);pyrazine
PubChem CID172788892
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Nameguanidine;bis(1H-indole);pyrazine
SMILES[H]N=C(N)N.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1cnccn1
InChIInChI=1S/2C8H7N.C4H4N2.CH5N3/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-3-5-1;2-1(3)4/h2*1-6,9H;1-4H;(H5,2,3,4)
InChIKeyPHBIFPJOKSJDKU-UHFFFAOYSA-N
XLogP3.65
TPSA133.25 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of guanidine;bis(1H-indole);pyrazine?
The IUPAC name of guanidine;bis(1H-indole);pyrazine (CID 172788892) is guanidine;bis(1H-indole);pyrazine.
What is the SMILES notation for guanidine;bis(1H-indole);pyrazine?
The canonical SMILES for guanidine;bis(1H-indole);pyrazine is [H]N=C(N)N.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1cnccn1.
What is the InChIKey of guanidine;bis(1H-indole);pyrazine?
The InChIKey is PHBIFPJOKSJDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N.C4H4N2.CH5N3/c2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-3-5-1;2-1(3)4/h2*1-6,9H;1-4H;(H5,2,3,4).
What are the key properties of guanidine;bis(1H-indole);pyrazine?
guanidine;bis(1H-indole);pyrazine has a molecular weight of 373.46 g/mol, XLogP of 3.65, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;bis(1H-indole);pyrazine is sourced from PubChem (CID 172788892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).