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

C11H14ClN5 — CID 50994257

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride
SMILESCc1cccc2[nH]nc(NC3=NCCN3)c12.Cl
InChIInChI=1S/C11H13N5.ClH/c1-7-3-2-4-8-9(7)10(16-15-8)14-11-12-5-6-13-11;/h2-4H,5-6H2,1H3,(H3,12,13,14,15,16);1H
InChIKeyRZNCNCRCWCXHGB-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.66
Rot. Bonds1

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

N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride (PubChem CID 50994257) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride
PubChem CID50994257
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride
SMILESCc1cccc2[nH]nc(NC3=NCCN3)c12.Cl
InChIInChI=1S/C11H13N5.ClH/c1-7-3-2-4-8-9(7)10(16-15-8)14-11-12-5-6-13-11;/h2-4H,5-6H2,1H3,(H3,12,13,14,15,16);1H
InChIKeyRZNCNCRCWCXHGB-UHFFFAOYSA-N
XLogP1.66
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride (CID 50994257) is N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride is Cc1cccc2[nH]nc(NC3=NCCN3)c12.Cl.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride?
The InChIKey is RZNCNCRCWCXHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5.ClH/c1-7-3-2-4-8-9(7)10(16-15-8)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-methyl-1H-indazol-3-amine;hydrochloride?
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1H-indazol-3-amine;hydrochloride is sourced from PubChem (CID 50994257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).