3-N-cyclopropyl-1-methylindazole-3,4-diamine

C11H14N4 — CID 84670864

IUPAC3-N-cyclopropyl-1-methylindazole-3,4-diamine
SMILESCn1nc(NC2CC2)c2c(N)cccc21
InChIInChI=1S/C11H14N4/c1-15-9-4-2-3-8(12)10(9)11(14-15)13-7-5-6-7/h2-4,7H,5-6,12H2,1H3,(H,13,14)
InChIKeyRILPTSYGYPUFPU-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.73
Rot. Bonds2

About 3-N-cyclopropyl-1-methylindazole-3,4-diamine

3-N-cyclopropyl-1-methylindazole-3,4-diamine (PubChem CID 84670864) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-methylindazole-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-1-methylindazole-3,4-diamine
PubChem CID84670864
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-N-cyclopropyl-1-methylindazole-3,4-diamine
SMILESCn1nc(NC2CC2)c2c(N)cccc21
InChIInChI=1S/C11H14N4/c1-15-9-4-2-3-8(12)10(9)11(14-15)13-7-5-6-7/h2-4,7H,5-6,12H2,1H3,(H,13,14)
InChIKeyRILPTSYGYPUFPU-UHFFFAOYSA-N
XLogP1.73
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-methylindazole-3,4-diamine?
The IUPAC name of 3-N-cyclopropyl-1-methylindazole-3,4-diamine (CID 84670864) is 3-N-cyclopropyl-1-methylindazole-3,4-diamine.
What is the SMILES notation for 3-N-cyclopropyl-1-methylindazole-3,4-diamine?
The canonical SMILES for 3-N-cyclopropyl-1-methylindazole-3,4-diamine is Cn1nc(NC2CC2)c2c(N)cccc21.
What is the InChIKey of 3-N-cyclopropyl-1-methylindazole-3,4-diamine?
The InChIKey is RILPTSYGYPUFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15-9-4-2-3-8(12)10(9)11(14-15)13-7-5-6-7/h2-4,7H,5-6,12H2,1H3,(H,13,14).
What are the key properties of 3-N-cyclopropyl-1-methylindazole-3,4-diamine?
3-N-cyclopropyl-1-methylindazole-3,4-diamine has a molecular weight of 202.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-methylindazole-3,4-diamine is sourced from PubChem (CID 84670864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).