2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol

C15H23N3O2 — CID 58709706

IUPAC2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol
SMILESCCc1nn(C)c2ccc(CCC(N)(CO)CO)cc12
InChIInChI=1S/C15H23N3O2/c1-3-13-12-8-11(4-5-14(12)18(2)17-13)6-7-15(16,9-19)10-20/h4-5,8,19-20H,3,6-7,9-10,16H2,1-2H3
InChIKeyNYXGUJPFBLCJBS-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.75
Rot. Bonds6

About 2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol

2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol (PubChem CID 58709706) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol
PubChem CID58709706
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol
SMILESCCc1nn(C)c2ccc(CCC(N)(CO)CO)cc12
InChIInChI=1S/C15H23N3O2/c1-3-13-12-8-11(4-5-14(12)18(2)17-13)6-7-15(16,9-19)10-20/h4-5,8,19-20H,3,6-7,9-10,16H2,1-2H3
InChIKeyNYXGUJPFBLCJBS-UHFFFAOYSA-N
XLogP0.75
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol (CID 58709706) is 2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol is CCc1nn(C)c2ccc(CCC(N)(CO)CO)cc12.
What is the InChIKey of 2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol?
The InChIKey is NYXGUJPFBLCJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-13-12-8-11(4-5-14(12)18(2)17-13)6-7-15(16,9-19)10-20/h4-5,8,19-20H,3,6-7,9-10,16H2,1-2H3.
What are the key properties of 2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol?
2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol has a molecular weight of 277.37 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol is sourced from PubChem (CID 58709706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).