2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine

C10H17N5 — CID 62846130

IUPAC2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1cnc(C)cn1
InChIInChI=1S/C10H17N5/c1-3-4-12-10(11)15-7-9-6-13-8(2)5-14-9/h5-6H,3-4,7H2,1-2H3,(H3,11,12,15)
InChIKeyOOFFGNZMVCVUKU-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.60
Rot. Bonds4

About 2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine

2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine (PubChem CID 62846130) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine
PubChem CID62846130
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/Cc1cnc(C)cn1
InChIInChI=1S/C10H17N5/c1-3-4-12-10(11)15-7-9-6-13-8(2)5-14-9/h5-6H,3-4,7H2,1-2H3,(H3,11,12,15)
InChIKeyOOFFGNZMVCVUKU-UHFFFAOYSA-N
XLogP0.60
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.60
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'}

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Related Compounds

2-[(5-methylpyrazin-2-yl)methyl]-1-phenylguanidine
CID 62848306
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 111087456
2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110924455
1-butyl-2-(pyridin-2-ylmethyl)guanidine
CID 111023231
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-propylguanidine
CID 103734481
2-[(2-methylphenyl)methyl]-1-propylguanidine;hydroiodide
CID 110912166
2-[(6-methyl-2-pyridinyl)methyl]-1-octylguanidine;hydroiodide
CID 111062653
2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111053202
1-butyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111023230
(5-methylpyrazin-2-yl)methylurea
CID 62845946
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide
CID 111818003
1-amino-2-[(5-methylpyrazin-2-yl)methyl]-3-phenylguanidine
CID 116511182

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine (CID 62846130) is 2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine is CCCN/C(N)=N/Cc1cnc(C)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine?
The InChIKey is OOFFGNZMVCVUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-3-4-12-10(11)15-7-9-6-13-8(2)5-14-9/h5-6H,3-4,7H2,1-2H3,(H3,11,12,15).
What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine?
2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine has a molecular weight of 207.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methyl]-1-propylguanidine is sourced from PubChem (CID 62846130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).