1-carbamimidoylguanidine;methane

C3H11N5 — CID 176544517

IUPAC1-carbamimidoylguanidine;methane
SMILESC.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C2H7N5.CH4/c3-1(4)7-2(5)6;/h(H7,3,4,5,6,7);1H4
InChIKeyTWZCZQRWRAXMKR-UHFFFAOYSA-N
MW117.16 g/mol
LogP-1.00
Rot. Bonds

About 1-carbamimidoylguanidine;methane

1-carbamimidoylguanidine;methane (PubChem CID 176544517) has the molecular formula C3H11N5 and a molecular weight of 117.16 g/mol. Its IUPAC name is 1-carbamimidoylguanidine;methane.

Molecular Properties

Compound Name1-carbamimidoylguanidine;methane
PubChem CID176544517
Molecular FormulaC3H11N5
Molecular Weight117.16 g/mol
Exact Mass117.10
IUPAC Name1-carbamimidoylguanidine;methane
SMILESC.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C2H7N5.CH4/c3-1(4)7-2(5)6;/h(H7,3,4,5,6,7);1H4
InChIKeyTWZCZQRWRAXMKR-UHFFFAOYSA-N
XLogP-1.00
TPSA111.77 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.16
LogP ≤ 5-1.00
H-Bond Donors ≤ 55
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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Related Compounds

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-carbamimidoylguanidine;prop-1-ene
CID 176521577
1-carbamimidoylguanidine;octanedioic acid
CID 176518629
1-carbamimidamidoguanidine;hydrobromide
CID 176518952
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
2-[8-[[amino(carbamimidamido)methylidene]amino]octyl]-1-carbamimidoylguanidine
CID 176524022
methane;1-(propan-2-ylideneamino)guanidine
CID 176546052
1-carbamimidoyl-2-(1,1-dichloroethyl)guanidine
CID 176527824
1-carbamimidoylguanidine;chlorobenzene;piperazine
CID 176529495

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoylguanidine;methane?
The IUPAC name of 1-carbamimidoylguanidine;methane (CID 176544517) is 1-carbamimidoylguanidine;methane.
What is the SMILES notation for 1-carbamimidoylguanidine;methane?
The canonical SMILES for 1-carbamimidoylguanidine;methane is C.[H]/N=C(\N)N/C(N)=N/[H].
What is the InChIKey of 1-carbamimidoylguanidine;methane?
The InChIKey is TWZCZQRWRAXMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N5.CH4/c3-1(4)7-2(5)6;/h(H7,3,4,5,6,7);1H4.
What are the key properties of 1-carbamimidoylguanidine;methane?
1-carbamimidoylguanidine;methane has a molecular weight of 117.16 g/mol, XLogP of -1.00, 0 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoylguanidine;methane is sourced from PubChem (CID 176544517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).