3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride

C11H16Cl2N4O — CID 3079857

IUPAC3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc2[nH]nc(N3CCOCC3)c2c1
InChIInChI=1S/C11H14N4O.2ClH/c12-8-1-2-10-9(7-8)11(14-13-10)15-3-5-16-6-4-15;;/h1-2,7H,3-6,12H2,(H,13,14);2*1H
InChIKeyVMFUTSOFGDDXTF-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.83
Rot. Bonds1

About 3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride

3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride (PubChem CID 3079857) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is 3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride
PubChem CID3079857
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC Name3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc2[nH]nc(N3CCOCC3)c2c1
InChIInChI=1S/C11H14N4O.2ClH/c12-8-1-2-10-9(7-8)11(14-13-10)15-3-5-16-6-4-15;;/h1-2,7H,3-6,12H2,(H,13,14);2*1H
InChIKeyVMFUTSOFGDDXTF-UHFFFAOYSA-N
XLogP1.83
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-Amino-6-(Morpholin-4-Yl)pyrimidin-4-Yl]-2h-Indazol-3-Amine
CID 46214653
N-((1-benzylpiperidin-4-yl)methyl)-1H-indazol-3-amine
CID 46889747
4-[3-[2-methoxyethyl(methyl)amino]-1H-indazol-5-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91333183
1H-Indazol-3-amine, N-(3-(1-piperidinyl)butyl)-
CID 3021346
1H-Indazol-3-amine, N-(5-methyl-3-(1-piperidinyl)hexyl)-
CID 3021347
1H-Indazole, 3-(4-morpholinyl)-5-nitro-
CID 3051326
Indazole, 3-((3-(2,6-dimethylpiperidino)propyl)amino)-
CID 3062571
Indazole, 3-((3-morpholinopropyl)amino)-
CID 3065651
1H-Indazol-3-amine, N-(3-(1-piperidinyl)propyl)-
CID 3068039
1H-Indazol-3-amine, N-(3-(2-methyl-1-piperidinyl)propyl)-
CID 3068040
1H-Indazol-3-amine, N-(2-(1-piperidinyl)ethyl)-
CID 3068042
1,3-Propanediamine, N,N-diethyl-N'-(1H-indazol-3-yi)-
CID 3068043

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride?
The IUPAC name of 3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride (CID 3079857) is 3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride?
The canonical SMILES for 3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride is Cl.Cl.Nc1ccc2[nH]nc(N3CCOCC3)c2c1.
What is the InChIKey of 3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride?
The InChIKey is VMFUTSOFGDDXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O.2ClH/c12-8-1-2-10-9(7-8)11(14-13-10)15-3-5-16-6-4-15;;/h1-2,7H,3-6,12H2,(H,13,14);2*1H.
What are the key properties of 3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride?
3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride has a molecular weight of 291.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1H-indazol-5-amine;dihydrochloride is sourced from PubChem (CID 3079857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).