1-carbamimidoylguanidine;prop-1-ene

C5H13N5 — CID 176521577

IUPAC1-carbamimidoylguanidine;prop-1-ene
SMILESC=CC.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C3H6.C2H7N5/c1-3-2;3-1(4)7-2(5)6/h3H,1H2,2H3;(H7,3,4,5,6,7)
InChIKeyTWRLARBAWKZYNG-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.44
Rot. Bonds

About 1-carbamimidoylguanidine;prop-1-ene

1-carbamimidoylguanidine;prop-1-ene (PubChem CID 176521577) has the molecular formula C5H13N5 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-carbamimidoylguanidine;prop-1-ene.

Molecular Properties

Compound Name1-carbamimidoylguanidine;prop-1-ene
PubChem CID176521577
Molecular FormulaC5H13N5
Molecular Weight143.19 g/mol
Exact Mass143.12
IUPAC Name1-carbamimidoylguanidine;prop-1-ene
SMILESC=CC.[H]/N=C(\N)N/C(N)=N/[H]
InChIInChI=1S/C3H6.C2H7N5/c1-3-2;3-1(4)7-2(5)6/h3H,1H2,2H3;(H7,3,4,5,6,7)
InChIKeyTWRLARBAWKZYNG-UHFFFAOYSA-N
XLogP-0.44
TPSA111.77 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.44
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoylguanidine;prop-1-ene?
The IUPAC name of 1-carbamimidoylguanidine;prop-1-ene (CID 176521577) is 1-carbamimidoylguanidine;prop-1-ene.
What is the SMILES notation for 1-carbamimidoylguanidine;prop-1-ene?
The canonical SMILES for 1-carbamimidoylguanidine;prop-1-ene is C=CC.[H]/N=C(\N)N/C(N)=N/[H].
What is the InChIKey of 1-carbamimidoylguanidine;prop-1-ene?
The InChIKey is TWRLARBAWKZYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.C2H7N5/c1-3-2;3-1(4)7-2(5)6/h3H,1H2,2H3;(H7,3,4,5,6,7).
What are the key properties of 1-carbamimidoylguanidine;prop-1-ene?
1-carbamimidoylguanidine;prop-1-ene has a molecular weight of 143.19 g/mol, XLogP of -0.44, 0 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoylguanidine;prop-1-ene is sourced from PubChem (CID 176521577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).