4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride

C10H11BrClN5 — CID 53320509

IUPAC4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride
SMILESBrc1cccc2[nH]nc(NC3=NCCN3)c12.Cl
InChIInChI=1S/C10H10BrN5.ClH/c11-6-2-1-3-7-8(6)9(16-15-7)14-10-12-4-5-13-10;/h1-3H,4-5H2,(H3,12,13,14,15,16);1H
InChIKeyLORCKFRPHFMCRB-UHFFFAOYSA-N
MW316.59 g/mol
LogP2.12
Rot. Bonds1

About 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride

4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride (PubChem CID 53320509) has the molecular formula C10H11BrClN5 and a molecular weight of 316.59 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride
PubChem CID53320509
Molecular FormulaC10H11BrClN5
Molecular Weight316.59 g/mol
Exact Mass314.99
IUPAC Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride
SMILESBrc1cccc2[nH]nc(NC3=NCCN3)c12.Cl
InChIInChI=1S/C10H10BrN5.ClH/c11-6-2-1-3-7-8(6)9(16-15-7)14-10-12-4-5-13-10;/h1-3H,4-5H2,(H3,12,13,14,15,16);1H
InChIKeyLORCKFRPHFMCRB-UHFFFAOYSA-N
XLogP2.12
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride?
The IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride (CID 53320509) is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride.
What is the SMILES notation for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride?
The canonical SMILES for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride is Brc1cccc2[nH]nc(NC3=NCCN3)c12.Cl.
What is the InChIKey of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride?
The InChIKey is LORCKFRPHFMCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5.ClH/c11-6-2-1-3-7-8(6)9(16-15-7)14-10-12-4-5-13-10;/h1-3H,4-5H2,(H3,12,13,14,15,16);1H.
What are the key properties of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride?
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride has a molecular weight of 316.59 g/mol, XLogP of 2.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride is sourced from PubChem (CID 53320509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).