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

C10H11Cl2N5 — CID 50994259

IUPAC7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride
SMILESCl.Clc1cccc2c(NC3=NCCN3)n[nH]c12
InChIInChI=1S/C10H10ClN5.ClH/c11-7-3-1-2-6-8(7)15-16-9(6)14-10-12-4-5-13-10;/h1-3H,4-5H2,(H3,12,13,14,15,16);1H
InChIKeyVNOAFBPFZCXWHI-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.01
Rot. Bonds1

About 7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride

7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride (PubChem CID 50994259) has the molecular formula C10H11Cl2N5 and a molecular weight of 272.14 g/mol. Its IUPAC name is 7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride.

Molecular Properties

Compound Name7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride
PubChem CID50994259
Molecular FormulaC10H11Cl2N5
Molecular Weight272.14 g/mol
Exact Mass271.04
IUPAC Name7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride
SMILESCl.Clc1cccc2c(NC3=NCCN3)n[nH]c12
InChIInChI=1S/C10H10ClN5.ClH/c11-7-3-1-2-6-8(7)15-16-9(6)14-10-12-4-5-13-10;/h1-3H,4-5H2,(H3,12,13,14,15,16);1H
InChIKeyVNOAFBPFZCXWHI-UHFFFAOYSA-N
XLogP2.01
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride?
The IUPAC name of 7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride (CID 50994259) is 7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride.
What is the SMILES notation for 7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride?
The canonical SMILES for 7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride is Cl.Clc1cccc2c(NC3=NCCN3)n[nH]c12.
What is the InChIKey of 7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride?
The InChIKey is VNOAFBPFZCXWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5.ClH/c11-7-3-1-2-6-8(7)15-16-9(6)14-10-12-4-5-13-10;/h1-3H,4-5H2,(H3,12,13,14,15,16);1H.
What are the key properties of 7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride?
7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride has a molecular weight of 272.14 g/mol, XLogP of 2.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1H-indazol-3-amine;hydrochloride is sourced from PubChem (CID 50994259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).