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

C13H15N3O2 — CID 78869833

IUPAC(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C13H15N3O2/c1-9-2-3-11-10(8-9)12(15-14-11)13(17)16-4-6-18-7-5-16/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyVMNVLPSWCHSJLH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.34
Rot. Bonds1

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

(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 78869833) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
PubChem CID78869833
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
SMILESCc1ccc2[nH]nc(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C13H15N3O2/c1-9-2-3-11-10(8-9)12(15-14-11)13(17)16-4-6-18-7-5-16/h2-3,8H,4-7H2,1H3,(H,14,15)
InChIKeyVMNVLPSWCHSJLH-UHFFFAOYSA-N
XLogP1.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone (CID 78869833) is (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone is Cc1ccc2[nH]nc(C(=O)N3CCOCC3)c2c1.
What is the InChIKey of (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is VMNVLPSWCHSJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-2-3-11-10(8-9)12(15-14-11)13(17)16-4-6-18-7-5-16/h2-3,8H,4-7H2,1H3,(H,14,15).
What are the key properties of (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone?
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 245.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 78869833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).