2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine

C17H20N6 — CID 172991348

IUPAC2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine
SMILESCc1ncc(-c2c[nH]c3ccccc23)nc1CCCN=C(N)N
InChIInChI=1S/C17H20N6/c1-11-14(7-4-8-20-17(18)19)23-16(10-21-11)13-9-22-15-6-3-2-5-12(13)15/h2-3,5-6,9-10,22H,4,7-8H2,1H3,(H4,18,19,20)
InChIKeyPOCYHWYAZVRGHV-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.14
Rot. Bonds5

About 2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine

2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine (PubChem CID 172991348) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine
PubChem CID172991348
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine
SMILESCc1ncc(-c2c[nH]c3ccccc23)nc1CCCN=C(N)N
InChIInChI=1S/C17H20N6/c1-11-14(7-4-8-20-17(18)19)23-16(10-21-11)13-9-22-15-6-3-2-5-12(13)15/h2-3,5-6,9-10,22H,4,7-8H2,1H3,(H4,18,19,20)
InChIKeyPOCYHWYAZVRGHV-UHFFFAOYSA-N
XLogP2.14
TPSA105.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-hydroxy-6-(1H-indol-3-yl)-2-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine
CID 136823497
2-[3-[3-amino-6-(1H-indol-3-yl)pyrazin-2-yl]propyl]guanidine;2-[3-[2-[(2S)-butan-2-yl]-3-hydroxy-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-yl]propyl]guanidine;hydron;(3S)-3-methyl-2-oxopentanal
CID 158697974
2-[5-(1H-indol-3-yl)pyrazin-2-yl]ethanamine
CID 82388672
[6-(1H-indol-3-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857643
6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
CID 82388103
3-(3-methylsulfonyl-1,2,4-triazin-5-yl)-1H-indole
CID 11747751
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
1-[4-(1H-indol-3-yl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 116867715
3-[5,6-bis[(E)-2-phenylethenyl]pyrazin-2-yl]-1H-indole
CID 139242602
4-(1H-indol-3-yl)imidazole-1,2-diamine
CID 82284365
N'-[3-(1H-indol-3-yl)propyl]-4-methylpiperidine-1-carboximidamide
CID 111108923
1-butyl-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806494

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine?
The IUPAC name of 2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine (CID 172991348) is 2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine.
What is the SMILES notation for 2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine?
The canonical SMILES for 2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine is Cc1ncc(-c2c[nH]c3ccccc23)nc1CCCN=C(N)N.
What is the InChIKey of 2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine?
The InChIKey is POCYHWYAZVRGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-11-14(7-4-8-20-17(18)19)23-16(10-21-11)13-9-22-15-6-3-2-5-12(13)15/h2-3,5-6,9-10,22H,4,7-8H2,1H3,(H4,18,19,20).
What are the key properties of 2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine?
2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine has a molecular weight of 308.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(1H-indol-3-yl)-3-methylpyrazin-2-yl]propyl]guanidine is sourced from PubChem (CID 172991348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).