1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol

C9H14N2O3 — CID 170817535

IUPAC1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol
SMILESCc1ccnc(C(O)C(O)CO)c1N
InChIInChI=1S/C9H14N2O3/c1-5-2-3-11-8(7(5)10)9(14)6(13)4-12/h2-3,6,9,12-14H,4,10H2,1H3
InChIKeyXYCQZIUYXXVWKM-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.64
Rot. Bonds3

About 1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol

1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol (PubChem CID 170817535) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol
PubChem CID170817535
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol
SMILESCc1ccnc(C(O)C(O)CO)c1N
InChIInChI=1S/C9H14N2O3/c1-5-2-3-11-8(7(5)10)9(14)6(13)4-12/h2-3,6,9,12-14H,4,10H2,1H3
InChIKeyXYCQZIUYXXVWKM-UHFFFAOYSA-N
XLogP-0.64
TPSA99.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol 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

4-(3-amino-4-methyl-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898847
benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855595
1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
CID 170817371
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 65034190
1-(3,4-diamino-5-methylphenyl)propane-1,2,3-triol
CID 170817836
1-(2-amino-4-methylpyrimidin-5-yl)propane-1,2,3-triol
CID 170817665
1-(2-chloro-4-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872018
5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154628
2-amino-2-(3-methyl-2-pyridinyl)ethanol
CID 55293811
1-(6-methyl-3-pyridinyl)propane-1,2,3-triol
CID 170817362
1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151118
1-[4-(hydroxymethyl)-2-pyridinyl]propane-1,2,3-triol
CID 170817640

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol?
The IUPAC name of 1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol (CID 170817535) is 1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol?
The canonical SMILES for 1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol is Cc1ccnc(C(O)C(O)CO)c1N.
What is the InChIKey of 1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol?
The InChIKey is XYCQZIUYXXVWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5-2-3-11-8(7(5)10)9(14)6(13)4-12/h2-3,6,9,12-14H,4,10H2,1H3.
What are the key properties of 1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol?
1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol has a molecular weight of 198.22 g/mol, XLogP of -0.64, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methyl-2-pyridinyl)propane-1,2,3-triol is sourced from PubChem (CID 170817535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).