2-aminoguanidine;1H-indole

C9H13N5 — CID 66766557

IUPAC2-aminoguanidine;1H-indole
SMILESNN=C(N)N.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.CH6N4/c1-2-4-8-7(3-1)5-6-9-8;2-1(3)5-4/h1-6,9H;4H2,(H4,2,3,5)
InChIKeyNOJJSLNDNQBLFF-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.30
Rot. Bonds

About 2-aminoguanidine;1H-indole

2-aminoguanidine;1H-indole (PubChem CID 66766557) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-aminoguanidine;1H-indole.

Molecular Properties

Compound Name2-aminoguanidine;1H-indole
PubChem CID66766557
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-aminoguanidine;1H-indole
SMILESNN=C(N)N.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.CH6N4/c1-2-4-8-7(3-1)5-6-9-8;2-1(3)5-4/h1-6,9H;4H2,(H4,2,3,5)
InChIKeyNOJJSLNDNQBLFF-UHFFFAOYSA-N
XLogP0.30
TPSA106.21 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoguanidine;1H-indole?
The IUPAC name of 2-aminoguanidine;1H-indole (CID 66766557) is 2-aminoguanidine;1H-indole.
What is the SMILES notation for 2-aminoguanidine;1H-indole?
The canonical SMILES for 2-aminoguanidine;1H-indole is NN=C(N)N.c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-aminoguanidine;1H-indole?
The InChIKey is NOJJSLNDNQBLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.CH6N4/c1-2-4-8-7(3-1)5-6-9-8;2-1(3)5-4/h1-6,9H;4H2,(H4,2,3,5).
What are the key properties of 2-aminoguanidine;1H-indole?
2-aminoguanidine;1H-indole has a molecular weight of 191.24 g/mol, XLogP of 0.30, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoguanidine;1H-indole is sourced from PubChem (CID 66766557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).