1-carbamimidamidoguanidine;hydrobromide

C2H9BrN6 — CID 176518952

IUPAC1-carbamimidamidoguanidine;hydrobromide
SMILESBr.[H]/N=C(\N)NN/C(N)=N/[H]
InChIInChI=1S/C2H8N6.BrH/c3-1(4)7-8-2(5)6;/h(H4,3,4,7)(H4,5,6,8);1H
InChIKeyDDODTQIGNNGTPK-UHFFFAOYSA-N
MW197.04 g/mol
LogP-1.55
Rot. Bonds

About 1-carbamimidamidoguanidine;hydrobromide

1-carbamimidamidoguanidine;hydrobromide (PubChem CID 176518952) has the molecular formula C2H9BrN6 and a molecular weight of 197.04 g/mol. Its IUPAC name is 1-carbamimidamidoguanidine;hydrobromide.

Molecular Properties

Compound Name1-carbamimidamidoguanidine;hydrobromide
PubChem CID176518952
Molecular FormulaC2H9BrN6
Molecular Weight197.04 g/mol
Exact Mass196.01
IUPAC Name1-carbamimidamidoguanidine;hydrobromide
SMILESBr.[H]/N=C(\N)NN/C(N)=N/[H]
InChIInChI=1S/C2H8N6.BrH/c3-1(4)7-8-2(5)6;/h(H4,3,4,7)(H4,5,6,8);1H
InChIKeyDDODTQIGNNGTPK-UHFFFAOYSA-N
XLogP-1.55
TPSA123.80 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500197.04
LogP ≤ 5-1.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-carbamimidoylguanidine;methane
CID 176544517
bis(1-carbamimidoylguanidine);dihydrochloride
CID 176545553
tris(1-carbamimidoylguanidine);cobalt(3+)
CID 135534766
1-carbamimidoylguanidine;oxovanadium(2+)
CID 176523770
1-carbamimidoylguanidine;ethane;dihydrate
CID 176527155
1-carbamimidamido-2-hexylguanidine
CID 176532426
1-carbamimidoylguanidine;prop-1-ene
CID 176521577
1-(9-carbamimidamidononyl)guanidine
CID 176533990
1-[oxido(oxo)(15N)(15N)azaniumyl]guanidine
CID 135467050
2-carbamimidamidoethyl carbamimidothioate;dihydrobromide
CID 176518669
1-carbamimidamidoguanidine;1-(diaminomethylideneamino)-1-dodecylguanidine
CID 176538170
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidamidoguanidine;hydrobromide?
The IUPAC name of 1-carbamimidamidoguanidine;hydrobromide (CID 176518952) is 1-carbamimidamidoguanidine;hydrobromide.
What is the SMILES notation for 1-carbamimidamidoguanidine;hydrobromide?
The canonical SMILES for 1-carbamimidamidoguanidine;hydrobromide is Br.[H]/N=C(\N)NN/C(N)=N/[H].
What is the InChIKey of 1-carbamimidamidoguanidine;hydrobromide?
The InChIKey is DDODTQIGNNGTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N6.BrH/c3-1(4)7-8-2(5)6;/h(H4,3,4,7)(H4,5,6,8);1H.
What are the key properties of 1-carbamimidamidoguanidine;hydrobromide?
1-carbamimidamidoguanidine;hydrobromide has a molecular weight of 197.04 g/mol, XLogP of -1.55, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidamidoguanidine;hydrobromide is sourced from PubChem (CID 176518952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).