6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine

C11H10ClN3 — CID 170467964

IUPAC6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(C#CCCCl)ccc12
InChIInChI=1S/C11H10ClN3/c12-6-2-1-3-8-4-5-9-10(7-8)14-15-11(9)13/h4-5,7H,2,6H2,(H3,13,14,15)
InChIKeyCBBRJENHOSWEMA-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.13
Rot. Bonds1

About 6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine

6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine (PubChem CID 170467964) has the molecular formula C11H10ClN3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine
PubChem CID170467964
Molecular FormulaC11H10ClN3
Molecular Weight219.67 g/mol
Exact Mass219.06
IUPAC Name6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine
SMILESNc1n[nH]c2cc(C#CCCCl)ccc12
InChIInChI=1S/C11H10ClN3/c12-6-2-1-3-8-4-5-9-10(7-8)14-15-11(9)13/h4-5,7H,2,6H2,(H3,13,14,15)
InChIKeyCBBRJENHOSWEMA-UHFFFAOYSA-N
XLogP2.13
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorobut-1-ynyl)-2-methylaniline
CID 170467501
ethane;6-methyl-1H-indazol-3-amine
CID 143489720
5-(4-chlorobut-1-ynyl)-1H-indole
CID 170467904
4-(4-chlorobut-1-ynyl)-2-ethylaniline
CID 170467779
6-(aminomethyl)-1H-indazol-3-amine
CID 22064647
6-(4-chlorobut-1-ynyl)-2-methyl-1H-quinolin-4-one
CID 170468512
[4-(4-chlorobut-1-ynyl)-2-fluorophenyl]methanamine
CID 170467770
5-(4-chlorobut-1-ynyl)-2-fluoropyridine
CID 170467288
2-(4-chlorobut-1-ynyl)dibenzofuran
CID 60799869
[4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane
CID 170467968
2,7-bis(hex-1-ynyl)-9H-carbazole
CID 165358279
4-[4-(4-chlorobut-1-ynyl)phenoxy]aniline
CID 170468687

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine?
The IUPAC name of 6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine (CID 170467964) is 6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine.
What is the SMILES notation for 6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine?
The canonical SMILES for 6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine is Nc1n[nH]c2cc(C#CCCCl)ccc12.
What is the InChIKey of 6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine?
The InChIKey is CBBRJENHOSWEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-6-2-1-3-8-4-5-9-10(7-8)14-15-11(9)13/h4-5,7H,2,6H2,(H3,13,14,15).
What are the key properties of 6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine?
6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine has a molecular weight of 219.67 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorobut-1-ynyl)-1H-indazol-3-amine is sourced from PubChem (CID 170467964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).