1-carbamimidoyl-2-methylguanidine;hydrochloride

C3H10ClN5 — CID 176516778

IUPAC1-carbamimidoyl-2-methylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/C
InChIInChI=1S/C3H9N5.ClH/c1-7-3(6)8-2(4)5;/h1H3,(H6,4,5,6,7,8);1H
InChIKeyAAYCPBAOUJRPIC-UHFFFAOYSA-N
MW151.60 g/mol
LogP-1.16
Rot. Bonds

About 1-carbamimidoyl-2-methylguanidine;hydrochloride

1-carbamimidoyl-2-methylguanidine;hydrochloride (PubChem CID 176516778) has the molecular formula C3H10ClN5 and a molecular weight of 151.60 g/mol. Its IUPAC name is 1-carbamimidoyl-2-methylguanidine;hydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-methylguanidine;hydrochloride
PubChem CID176516778
Molecular FormulaC3H10ClN5
Molecular Weight151.60 g/mol
Exact Mass151.06
IUPAC Name1-carbamimidoyl-2-methylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/C
InChIInChI=1S/C3H9N5.ClH/c1-7-3(6)8-2(4)5;/h1H3,(H6,4,5,6,7,8);1H
InChIKeyAAYCPBAOUJRPIC-UHFFFAOYSA-N
XLogP-1.16
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.60
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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 1-carbamimidoyl-2-methylguanidine;hydrochloride?
The IUPAC name of 1-carbamimidoyl-2-methylguanidine;hydrochloride (CID 176516778) is 1-carbamimidoyl-2-methylguanidine;hydrochloride.
What is the SMILES notation for 1-carbamimidoyl-2-methylguanidine;hydrochloride?
The canonical SMILES for 1-carbamimidoyl-2-methylguanidine;hydrochloride is Cl.[H]/N=C(\N)N/C(N)=N/C.
What is the InChIKey of 1-carbamimidoyl-2-methylguanidine;hydrochloride?
The InChIKey is AAYCPBAOUJRPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N5.ClH/c1-7-3(6)8-2(4)5;/h1H3,(H6,4,5,6,7,8);1H.
What are the key properties of 1-carbamimidoyl-2-methylguanidine;hydrochloride?
1-carbamimidoyl-2-methylguanidine;hydrochloride has a molecular weight of 151.60 g/mol, XLogP of -1.16, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-methylguanidine;hydrochloride is sourced from PubChem (CID 176516778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).