(5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone

C14H18N4O2 — CID 60905135

IUPAC(5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C14H18N4O2/c1-2-10-8-20-6-5-18(10)14(19)13-11-7-9(15)3-4-12(11)16-17-13/h3-4,7,10H,2,5-6,8,15H2,1H3,(H,16,17)
InChIKeyDKZJRTMIRQOMES-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.40
Rot. Bonds2

About (5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone

(5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone (PubChem CID 60905135) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone
PubChem CID60905135
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone
SMILESCCC1COCCN1C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C14H18N4O2/c1-2-10-8-20-6-5-18(10)14(19)13-11-7-9(15)3-4-12(11)16-17-13/h3-4,7,10H,2,5-6,8,15H2,1H3,(H,16,17)
InChIKeyDKZJRTMIRQOMES-UHFFFAOYSA-N
XLogP1.40
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.40
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)-(2-ethylpiperidin-1-yl)methanone
CID 60905246
(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone
CID 63117810
(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 54944614
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522
1-(5-amino-1H-indazole-3-carbonyl)piperidine-2-carboxamide
CID 61107580
(4-amino-1-methylpyrrol-2-yl)-(3-ethylmorpholin-4-yl)methanone
CID 43644113
(5-amino-1H-indazol-3-yl)-(azepan-1-yl)methanone
CID 54944846
(5-amino-1H-indazol-3-yl)-piperidin-1-ylmethanone
CID 54944980
5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
CID 61116521
(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613155
5-amino-N-methyl-N-(oxolan-3-yl)-1H-indazole-3-carboxamide
CID 82740968

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone?
The IUPAC name of (5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone (CID 60905135) is (5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone is CCC1COCCN1C(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of (5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone?
The InChIKey is DKZJRTMIRQOMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-10-8-20-6-5-18(10)14(19)13-11-7-9(15)3-4-12(11)16-17-13/h3-4,7,10H,2,5-6,8,15H2,1H3,(H,16,17).
What are the key properties of (5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone?
(5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 1.40, 2 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)-(3-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 60905135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).