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

C11H14ClN5O — CID 53320511

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride
SMILESCOc1cccc2[nH]nc(NC3=NCCN3)c12.Cl
InChIInChI=1S/C11H13N5O.ClH/c1-17-8-4-2-3-7-9(8)10(16-15-7)14-11-12-5-6-13-11;/h2-4H,5-6H2,1H3,(H3,12,13,14,15,16);1H
InChIKeySODTUAUNQIZTCG-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.36
Rot. Bonds2

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

N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride (PubChem CID 53320511) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride
PubChem CID53320511
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride
SMILESCOc1cccc2[nH]nc(NC3=NCCN3)c12.Cl
InChIInChI=1S/C11H13N5O.ClH/c1-17-8-4-2-3-7-9(8)10(16-15-7)14-11-12-5-6-13-11;/h2-4H,5-6H2,1H3,(H3,12,13,14,15,16);1H
InChIKeySODTUAUNQIZTCG-UHFFFAOYSA-N
XLogP1.36
TPSA74.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride (CID 53320511) is N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride is COc1cccc2[nH]nc(NC3=NCCN3)c12.Cl.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride?
The InChIKey is SODTUAUNQIZTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O.ClH/c1-17-8-4-2-3-7-9(8)10(16-15-7)14-11-12-5-6-13-11;/h2-4H,5-6H2,1H3,(H3,12,13,14,15,16);1H.
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride?
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride has a molecular weight of 267.72 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1H-indazol-3-amine;hydrochloride is sourced from PubChem (CID 53320511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).