2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride

C6H17ClN6O3 — CID 176536553

IUPAC2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
SMILESCl.O=[N+]([O-])O.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C6H15N5.ClH.HNO3/c1-2-3-4-10-6(9)11-5(7)8;;2-1(3)4/h2-4H2,1H3,(H6,7,8,9,10,11);1H;(H,2,3,4)
InChIKeyWZPPWWWGGBGHIF-UHFFFAOYSA-N
MW256.69 g/mol
LogP-0.34
Rot. Bonds3

About 2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride

2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride (PubChem CID 176536553) has the molecular formula C6H17ClN6O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride.

Molecular Properties

Compound Name2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
PubChem CID176536553
Molecular FormulaC6H17ClN6O3
Molecular Weight256.69 g/mol
Exact Mass256.11
IUPAC Name2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
SMILESCl.O=[N+]([O-])O.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C6H15N5.ClH.HNO3/c1-2-3-4-10-6(9)11-5(7)8;;2-1(3)4/h2-4H2,1H3,(H6,7,8,9,10,11);1H;(H,2,3,4)
InChIKeyWZPPWWWGGBGHIF-UHFFFAOYSA-N
XLogP-0.34
TPSA163.65 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 5-0.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
CID 176522224
CID 176522224
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
1-carbamimidoyl-2-hexylguanidine
CID 176518657
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
1-butyl-3-carbamimidoyl-2-propylguanidine;nitric acid
CID 176523620
benzene-1,3-diamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176543735
[1-(aminomethyl)cyclohexyl]methanamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176537270

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride?
The IUPAC name of 2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride (CID 176536553) is 2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride.
What is the SMILES notation for 2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride?
The canonical SMILES for 2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride is Cl.O=[N+]([O-])O.[H]/N=C(\N)N/C(N)=N/CCCC.
What is the InChIKey of 2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride?
The InChIKey is WZPPWWWGGBGHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5.ClH.HNO3/c1-2-3-4-10-6(9)11-5(7)8;;2-1(3)4/h2-4H2,1H3,(H6,7,8,9,10,11);1H;(H,2,3,4).
What are the key properties of 2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride?
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride has a molecular weight of 256.69 g/mol, XLogP of -0.34, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride is sourced from PubChem (CID 176536553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).