2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide

C13H16N4 — CID 65495027

IUPAC2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(Cn2ncc3ccccc32)CC1
InChIInChI=1S/C13H16N4/c14-12(15)7-13(5-6-13)9-17-11-4-2-1-3-10(11)8-16-17/h1-4,8H,5-7,9H2,(H3,14,15)
InChIKeyVFHPUNVHQYMZDJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.14
Rot. Bonds4

About 2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide

2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide (PubChem CID 65495027) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide
PubChem CID65495027
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(Cn2ncc3ccccc32)CC1
InChIInChI=1S/C13H16N4/c14-12(15)7-13(5-6-13)9-17-11-4-2-1-3-10(11)8-16-17/h1-4,8H,5-7,9H2,(H3,14,15)
InChIKeyVFHPUNVHQYMZDJ-UHFFFAOYSA-N
XLogP2.14
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide (CID 65495027) is 2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(Cn2ncc3ccccc32)CC1.
What is the InChIKey of 2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide?
The InChIKey is VFHPUNVHQYMZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-12(15)7-13(5-6-13)9-17-11-4-2-1-3-10(11)8-16-17/h1-4,8H,5-7,9H2,(H3,14,15).
What are the key properties of 2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide?
2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide has a molecular weight of 228.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide is sourced from PubChem (CID 65495027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).