1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide

C10H16IN5 — CID 137072714

IUPAC1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide
SMILESC=CCN/C(N)=N/CCc1cnccn1.I
InChIInChI=1S/C10H15N5.HI/c1-2-4-14-10(11)15-5-3-9-8-12-6-7-13-9;/h2,6-8H,1,3-5H2,(H3,11,14,15);1H
InChIKeyABYRMPCOEDNBME-UHFFFAOYSA-N
MW333.18 g/mol
LogP0.73
Rot. Bonds5

About 1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide

1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide (PubChem CID 137072714) has the molecular formula C10H16IN5 and a molecular weight of 333.18 g/mol. Its IUPAC name is 1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide
PubChem CID137072714
Molecular FormulaC10H16IN5
Molecular Weight333.18 g/mol
Exact Mass333.05
IUPAC Name1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide
SMILESC=CCN/C(N)=N/CCc1cnccn1.I
InChIInChI=1S/C10H15N5.HI/c1-2-4-14-10(11)15-5-3-9-8-12-6-7-13-9;/h2,6-8H,1,3-5H2,(H3,11,14,15);1H
InChIKeyABYRMPCOEDNBME-UHFFFAOYSA-N
XLogP0.73
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine
CID 137156933
2-[2-(5-methylpyrimidin-2-yl)ethyl]-1-prop-2-enylguanidine
CID 137125536
2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-1-prop-2-enylguanidine
CID 136678047
1-prop-2-enyl-2-[2-(3,4,5-trifluorophenyl)ethyl]guanidine
CID 136741989
2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 119119982
2-[2-(3-cyano-1,2,4-triazol-1-yl)ethyl]-1-prop-2-enylguanidine
CID 137158978
1-prop-2-enyl-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 136523766
2-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-prop-2-enylguanidine
CID 111465365
1-prop-2-enyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 136683172
2-[[3-[[[amino-(prop-2-enylamino)methylidene]amino]methyl]phenyl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 110062247
2-[(4-cyanophenyl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 110915996
2-[3-(benzimidazol-1-yl)propyl]-1-prop-2-enylguanidine
CID 136700074

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide (CID 137072714) is 1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide is C=CCN/C(N)=N/CCc1cnccn1.I.
What is the InChIKey of 1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide?
The InChIKey is ABYRMPCOEDNBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5.HI/c1-2-4-14-10(11)15-5-3-9-8-12-6-7-13-9;/h2,6-8H,1,3-5H2,(H3,11,14,15);1H.
What are the key properties of 1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide?
1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide has a molecular weight of 333.18 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-(2-pyrazin-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 137072714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).