1-methylindole-5-carboximidamide

C10H11N3 — CID 18545754

IUPAC1-methylindole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(ccn2C)c1
InChIInChI=1S/C10H11N3/c1-13-5-4-7-6-8(10(11)12)2-3-9(7)13/h2-6H,1H3,(H3,11,12)
InChIKeyWYRBSQXVDKVTEQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.46
Rot. Bonds1

About 1-methylindole-5-carboximidamide

1-methylindole-5-carboximidamide (PubChem CID 18545754) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-methylindole-5-carboximidamide.

Molecular Properties

Compound Name1-methylindole-5-carboximidamide
PubChem CID18545754
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name1-methylindole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(ccn2C)c1
InChIInChI=1S/C10H11N3/c1-13-5-4-7-6-8(10(11)12)2-3-9(7)13/h2-6H,1H3,(H3,11,12)
InChIKeyWYRBSQXVDKVTEQ-UHFFFAOYSA-N
XLogP1.46
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylindole-5-carboximidamide?
The IUPAC name of 1-methylindole-5-carboximidamide (CID 18545754) is 1-methylindole-5-carboximidamide.
What is the SMILES notation for 1-methylindole-5-carboximidamide?
The canonical SMILES for 1-methylindole-5-carboximidamide is [H]/N=C(\N)c1ccc2c(ccn2C)c1.
What is the InChIKey of 1-methylindole-5-carboximidamide?
The InChIKey is WYRBSQXVDKVTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-13-5-4-7-6-8(10(11)12)2-3-9(7)13/h2-6H,1H3,(H3,11,12).
What are the key properties of 1-methylindole-5-carboximidamide?
1-methylindole-5-carboximidamide has a molecular weight of 173.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole-5-carboximidamide is sourced from PubChem (CID 18545754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).