4-chloro-1H-indazol-5-amine

C7H6ClN3 — CID 53399310

IUPAC4-chloro-1H-indazol-5-amine
SMILESNc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C7H6ClN3/c8-7-4-3-10-11-6(4)2-1-5(7)9/h1-3H,9H2,(H,10,11)
InChIKeyBLWKYVXJPMQSPE-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.80
Rot. Bonds

About 4-chloro-1H-indazol-5-amine

4-chloro-1H-indazol-5-amine (PubChem CID 53399310) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-chloro-1H-indazol-5-amine.

Molecular Properties

Compound Name4-chloro-1H-indazol-5-amine
PubChem CID53399310
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name4-chloro-1H-indazol-5-amine
SMILESNc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C7H6ClN3/c8-7-4-3-10-11-6(4)2-1-5(7)9/h1-3H,9H2,(H,10,11)
InChIKeyBLWKYVXJPMQSPE-UHFFFAOYSA-N
XLogP1.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-indazol-5-amine?
The IUPAC name of 4-chloro-1H-indazol-5-amine (CID 53399310) is 4-chloro-1H-indazol-5-amine.
What is the SMILES notation for 4-chloro-1H-indazol-5-amine?
The canonical SMILES for 4-chloro-1H-indazol-5-amine is Nc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of 4-chloro-1H-indazol-5-amine?
The InChIKey is BLWKYVXJPMQSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c8-7-4-3-10-11-6(4)2-1-5(7)9/h1-3H,9H2,(H,10,11).
What are the key properties of 4-chloro-1H-indazol-5-amine?
4-chloro-1H-indazol-5-amine has a molecular weight of 167.60 g/mol, XLogP of 1.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-indazol-5-amine is sourced from PubChem (CID 53399310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).