CID 176522224

C6H17Cl2N5O4 — CID 176522224

IUPAC—
SMILESCl.[H]/N=C(\N)N/C(N)=N/CCCC.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H15N5.ClHO4.ClH/c1-2-3-4-10-6(9)11-5(7)8;2-1(3,4)5;/h2-4H2,1H3,(H6,7,8,9,10,11);(H,2,3,4,5);1H
InChIKeyPOZRMSXAZVQCOT-UHFFFAOYSA-N
MW294.14 g/mol
LogP-4.12
Rot. Bonds3

About CID 176522224

CID 176522224 (PubChem CID 176522224) has the molecular formula C6H17Cl2N5O4 and a molecular weight of 294.14 g/mol.

Molecular Properties

Compound NameCID 176522224
PubChem CID176522224
Molecular FormulaC6H17Cl2N5O4
Molecular Weight294.14 g/mol
Exact Mass293.07
IUPAC Name—
SMILESCl.[H]/N=C(\N)N/C(N)=N/CCCC.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H15N5.ClHO4.ClH/c1-2-3-4-10-6(9)11-5(7)8;2-1(3,4)5;/h2-4H2,1H3,(H6,7,8,9,10,11);(H,2,3,4,5);1H
InChIKeyPOZRMSXAZVQCOT-UHFFFAOYSA-N
XLogP-4.12
TPSA189.69 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 5-4.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
1-carbamimidoyl-2-hexylguanidine
CID 176518657
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
2-butyl-1-carbamimidoylguanidine;oxetane;hydrochloride
CID 176532485
(E)-but-2-enedioic acid;2-butyl-1-carbamimidoylguanidine
CID 176533786
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
benzene-1,3-diamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176543735
2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride
CID 176531380
[1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176537270

Frequently Asked Questions

What is the IUPAC name of CID 176522224?
The IUPAC name of CID 176522224 (CID 176522224) is not available.
What is the SMILES notation for CID 176522224?
The canonical SMILES for CID 176522224 is Cl.[H]/N=C(\N)N/C(N)=N/CCCC.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of CID 176522224?
The InChIKey is POZRMSXAZVQCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5.ClHO4.ClH/c1-2-3-4-10-6(9)11-5(7)8;2-1(3,4)5;/h2-4H2,1H3,(H6,7,8,9,10,11);(H,2,3,4,5);1H.
What are the key properties of CID 176522224?
CID 176522224 has a molecular weight of 294.14 g/mol, XLogP of -4.12, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176522224 is sourced from PubChem (CID 176522224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).