2-indazol-1-ylbutanimidamide

C11H14N4 — CID 62142276

IUPAC2-indazol-1-ylbutanimidamide
SMILES[H]/N=C(\N)C(CC)n1ncc2ccccc21
InChIInChI=1S/C11H14N4/c1-2-9(11(12)13)15-10-6-4-3-5-8(10)7-14-15/h3-7,9H,2H2,1H3,(H3,12,13)
InChIKeyGQTUZKIQOJCNGY-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.92
Rot. Bonds3

About 2-indazol-1-ylbutanimidamide

2-indazol-1-ylbutanimidamide (PubChem CID 62142276) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-indazol-1-ylbutanimidamide.

Molecular Properties

Compound Name2-indazol-1-ylbutanimidamide
PubChem CID62142276
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-indazol-1-ylbutanimidamide
SMILES[H]/N=C(\N)C(CC)n1ncc2ccccc21
InChIInChI=1S/C11H14N4/c1-2-9(11(12)13)15-10-6-4-3-5-8(10)7-14-15/h3-7,9H,2H2,1H3,(H3,12,13)
InChIKeyGQTUZKIQOJCNGY-UHFFFAOYSA-N
XLogP1.92
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.92
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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Related Compounds

3-amino-2-indazol-1-ylpropanoic acid
CID 64694825
N-[(4-fluorophenyl)methyl]-2-indazol-1-ylbutanamide
CID 122176580
1-indazol-1-ylpropan-2-imine
CID 153009474
1-indazol-1-yl-1-(4-methylphenyl)butan-2-amine
CID 62142049
N-ethyl-2-indazol-1-yl-2-phenylethanamine
CID 62448087
4-(1-indazol-1-ylethyl)phenol
CID 175418452
2-indazol-1-yl-3-methylbutanehydrazide
CID 63577978
2-[1-(indazol-1-ylmethyl)cyclopropyl]ethanimidamide
CID 65495027
2-indazol-1-yl-2-(4-methoxyphenyl)ethanamine
CID 62142054
2-indazol-1-yl-3-methyl-N-propan-2-ylbutan-1-amine
CID 62449392
propyl indazole-1-carboxylate
CID 71095858
1-ethylindazole;propane
CID 143188130

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-ylbutanimidamide?
The IUPAC name of 2-indazol-1-ylbutanimidamide (CID 62142276) is 2-indazol-1-ylbutanimidamide.
What is the SMILES notation for 2-indazol-1-ylbutanimidamide?
The canonical SMILES for 2-indazol-1-ylbutanimidamide is [H]/N=C(\N)C(CC)n1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-ylbutanimidamide?
The InChIKey is GQTUZKIQOJCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-9(11(12)13)15-10-6-4-3-5-8(10)7-14-15/h3-7,9H,2H2,1H3,(H3,12,13).
What are the key properties of 2-indazol-1-ylbutanimidamide?
2-indazol-1-ylbutanimidamide has a molecular weight of 202.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-ylbutanimidamide is sourced from PubChem (CID 62142276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).