hexakis(guanidine);hydrochloride

C6H31ClN18 — CID 175475542

IUPAChexakis(guanidine);hydrochloride
SMILESCl.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/6CH5N3.ClH/c6*2-1(3)4;/h6*(H5,2,3,4);1H
InChIKeyZIJWHYSAVIEPKF-UHFFFAOYSA-N
MW390.89 g/mol
LogP-6.55
Rot. Bonds

About hexakis(guanidine);hydrochloride

hexakis(guanidine);hydrochloride (PubChem CID 175475542) has the molecular formula C6H31ClN18 and a molecular weight of 390.89 g/mol. Its IUPAC name is hexakis(guanidine);hydrochloride.

Molecular Properties

Compound Namehexakis(guanidine);hydrochloride
PubChem CID175475542
Molecular FormulaC6H31ClN18
Molecular Weight390.89 g/mol
Exact Mass390.27
IUPAC Namehexakis(guanidine);hydrochloride
SMILESCl.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/6CH5N3.ClH/c6*2-1(3)4;/h6*(H5,2,3,4);1H
InChIKeyZIJWHYSAVIEPKF-UHFFFAOYSA-N
XLogP-6.55
TPSA455.34 Ų
H-Bond Donors18
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.89
LogP ≤ 5-6.55
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 106

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 hexakis(guanidine);hydrochloride?
The IUPAC name of hexakis(guanidine);hydrochloride (CID 175475542) is hexakis(guanidine);hydrochloride.
What is the SMILES notation for hexakis(guanidine);hydrochloride?
The canonical SMILES for hexakis(guanidine);hydrochloride is Cl.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.
What is the InChIKey of hexakis(guanidine);hydrochloride?
The InChIKey is ZIJWHYSAVIEPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/6CH5N3.ClH/c6*2-1(3)4;/h6*(H5,2,3,4);1H.
What are the key properties of hexakis(guanidine);hydrochloride?
hexakis(guanidine);hydrochloride has a molecular weight of 390.89 g/mol, XLogP of -6.55, 0 rotatable bonds, 18 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(guanidine);hydrochloride is sourced from PubChem (CID 175475542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).