6-N-morpholin-4-yl-1H-indazole-5,6-diamine

C11H15N5O — CID 107490810

IUPAC6-N-morpholin-4-yl-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1NN1CCOCC1
InChIInChI=1S/C11H15N5O/c12-9-5-8-7-13-14-10(8)6-11(9)15-16-1-3-17-4-2-16/h5-7,15H,1-4,12H2,(H,13,14)
InChIKeyUIWKUZVEQCYDOS-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.80
Rot. Bonds2

About 6-N-morpholin-4-yl-1H-indazole-5,6-diamine

6-N-morpholin-4-yl-1H-indazole-5,6-diamine (PubChem CID 107490810) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 6-N-morpholin-4-yl-1H-indazole-5,6-diamine.

Molecular Properties

Compound Name6-N-morpholin-4-yl-1H-indazole-5,6-diamine
PubChem CID107490810
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name6-N-morpholin-4-yl-1H-indazole-5,6-diamine
SMILESNc1cc2cn[nH]c2cc1NN1CCOCC1
InChIInChI=1S/C11H15N5O/c12-9-5-8-7-13-14-10(8)6-11(9)15-16-1-3-17-4-2-16/h5-7,15H,1-4,12H2,(H,13,14)
InChIKeyUIWKUZVEQCYDOS-UHFFFAOYSA-N
XLogP0.80
TPSA79.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-morpholin-4-yl-1H-indazole-5,6-diamine?
The IUPAC name of 6-N-morpholin-4-yl-1H-indazole-5,6-diamine (CID 107490810) is 6-N-morpholin-4-yl-1H-indazole-5,6-diamine.
What is the SMILES notation for 6-N-morpholin-4-yl-1H-indazole-5,6-diamine?
The canonical SMILES for 6-N-morpholin-4-yl-1H-indazole-5,6-diamine is Nc1cc2cn[nH]c2cc1NN1CCOCC1.
What is the InChIKey of 6-N-morpholin-4-yl-1H-indazole-5,6-diamine?
The InChIKey is UIWKUZVEQCYDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-9-5-8-7-13-14-10(8)6-11(9)15-16-1-3-17-4-2-16/h5-7,15H,1-4,12H2,(H,13,14).
What are the key properties of 6-N-morpholin-4-yl-1H-indazole-5,6-diamine?
6-N-morpholin-4-yl-1H-indazole-5,6-diamine has a molecular weight of 233.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-morpholin-4-yl-1H-indazole-5,6-diamine is sourced from PubChem (CID 107490810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).