(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone

C12H14N4O2 — CID 54944614

IUPAC(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
SMILESNc1ccc2[nH]nc(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C12H14N4O2/c13-8-1-2-10-9(7-8)11(15-14-10)12(17)16-3-5-18-6-4-16/h1-2,7H,3-6,13H2,(H,14,15)
InChIKeyFVAKFXVAXRDVGJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.62
Rot. Bonds1

About (5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone

(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 54944614) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
PubChem CID54944614
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
SMILESNc1ccc2[nH]nc(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C12H14N4O2/c13-8-1-2-10-9(7-8)11(15-14-10)12(17)16-3-5-18-6-4-16/h1-2,7H,3-6,13H2,(H,14,15)
InChIKeyFVAKFXVAXRDVGJ-UHFFFAOYSA-N
XLogP0.62
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.62
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

(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522
(5-amino-1H-indazol-3-yl)-(azepan-1-yl)methanone
CID 54944846
(5-amino-1H-indazol-3-yl)-piperidin-1-ylmethanone
CID 54944980
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
(5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone
CID 60905135
(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604993
(5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 60905359
1-(5-amino-1H-indazole-3-carbonyl)piperidine-2-carboxamide
CID 61107580
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
3-(4-morpholin-4-ylphenyl)-1H-indazol-5-amine
CID 86710928
(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 60905246

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone (CID 54944614) is (5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone is Nc1ccc2[nH]nc(C(=O)N3CCOCC3)c2c1.
What is the InChIKey of (5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is FVAKFXVAXRDVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-8-1-2-10-9(7-8)11(15-14-10)12(17)16-3-5-18-6-4-16/h1-2,7H,3-6,13H2,(H,14,15).
What are the key properties of (5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone?
(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 246.27 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 54944614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).