N'-amino-1H-indole-2-carboximidamide

C9H10N4 — CID 136649421

IUPACN'-amino-1H-indole-2-carboximidamide
SMILESNN=C(N)c1cc2ccccc2[nH]1
InChIInChI=1S/C9H10N4/c10-9(13-11)8-5-6-3-1-2-4-7(6)12-8/h1-5,12H,11H2,(H2,10,13)
InChIKeyFLMVHOQIYGPCDV-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.75
Rot. Bonds1

About N'-amino-1H-indole-2-carboximidamide

N'-amino-1H-indole-2-carboximidamide (PubChem CID 136649421) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is N'-amino-1H-indole-2-carboximidamide.

Molecular Properties

Compound NameN'-amino-1H-indole-2-carboximidamide
PubChem CID136649421
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC NameN'-amino-1H-indole-2-carboximidamide
SMILESNN=C(N)c1cc2ccccc2[nH]1
InChIInChI=1S/C9H10N4/c10-9(13-11)8-5-6-3-1-2-4-7(6)12-8/h1-5,12H,11H2,(H2,10,13)
InChIKeyFLMVHOQIYGPCDV-UHFFFAOYSA-N
XLogP0.75
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.75
H-Bond Donors ≤ 53
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 N'-amino-1H-indole-2-carboximidamide?
The IUPAC name of N'-amino-1H-indole-2-carboximidamide (CID 136649421) is N'-amino-1H-indole-2-carboximidamide.
What is the SMILES notation for N'-amino-1H-indole-2-carboximidamide?
The canonical SMILES for N'-amino-1H-indole-2-carboximidamide is NN=C(N)c1cc2ccccc2[nH]1.
What is the InChIKey of N'-amino-1H-indole-2-carboximidamide?
The InChIKey is FLMVHOQIYGPCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-9(13-11)8-5-6-3-1-2-4-7(6)12-8/h1-5,12H,11H2,(H2,10,13).
What are the key properties of N'-amino-1H-indole-2-carboximidamide?
N'-amino-1H-indole-2-carboximidamide has a molecular weight of 174.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-1H-indole-2-carboximidamide is sourced from PubChem (CID 136649421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).