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

C14H21N3O2 — CID 103880578

IUPAC2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1nn(C)c2ccccc12
InChIInChI=1S/C14H21N3O2/c1-3-14(9-18,10-19)15-8-12-11-6-4-5-7-13(11)17(2)16-12/h4-7,15,18-19H,3,8-10H2,1-2H3
InChIKeyOVVPCPFFNPBPJG-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.80
Rot. Bonds6

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

2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol (PubChem CID 103880578) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol
PubChem CID103880578
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1nn(C)c2ccccc12
InChIInChI=1S/C14H21N3O2/c1-3-14(9-18,10-19)15-8-12-11-6-4-5-7-13(11)17(2)16-12/h4-7,15,18-19H,3,8-10H2,1-2H3
InChIKeyOVVPCPFFNPBPJG-UHFFFAOYSA-N
XLogP0.80
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-[(1-methylindazol-3-yl)methyl]propane-1,3-diol
CID 79450032
2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine
CID 112738161
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
N-methyl-N-[(1-methylindazol-3-yl)methyl]hydroxylamine
CID 82604100
4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
CID 103701006
N-[(1-methylindazol-3-yl)methyl]hexan-1-amine
CID 62997880
[1-[[(1-methylindazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479073
3-(hydroxymethyl)-1-methylcinnolin-4-one
CID 146273562
2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115876423
2-[[(1-methylindazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 64983121

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol (CID 103880578) is 2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol is CCC(CO)(CO)NCc1nn(C)c2ccccc12.
What is the InChIKey of 2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol?
The InChIKey is OVVPCPFFNPBPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-14(9-18,10-19)15-8-12-11-6-4-5-7-13(11)17(2)16-12/h4-7,15,18-19H,3,8-10H2,1-2H3.
What are the key properties of 2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol?
2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol has a molecular weight of 263.34 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methylindazol-3-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 103880578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).