3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol

C8H13N3O2 — CID 170827517

IUPAC3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccncc1N
InChIInChI=1S/C8H13N3O2/c9-3-7(12)8(13)5-1-2-11-4-6(5)10/h1-2,4,7-8,12-13H,3,9-10H2
InChIKeyQTYAWMWLNBKLMM-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.98
Rot. Bonds3

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

3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol (PubChem CID 170827517) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol
PubChem CID170827517
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccncc1N
InChIInChI=1S/C8H13N3O2/c9-3-7(12)8(13)5-1-2-11-4-6(5)10/h1-2,4,7-8,12-13H,3,9-10H2
InChIKeyQTYAWMWLNBKLMM-UHFFFAOYSA-N
XLogP-0.98
TPSA105.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

1-(3-amino-4-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873543
1-(3-amino-4-pyridinyl)-N-methylethane-1,2-diamine
CID 130280061
(1S,2S)-1-amino-1-(3-amino-4-pyridinyl)propan-2-ol
CID 55293070
4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880754
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-3-methylbutan-1-ol
CID 107443196
3-amino-3-(3-amino-4-pyridinyl)propan-1-ol
CID 55292643
3-amino-1-(2-amino-4-methylphenyl)propane-1,2-diol
CID 170827782
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
2-amino-2-(3-amino-4-pyridinyl)acetic acid
CID 55292640
3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
CID 165445125
3-(3-amino-4-pyridinyl)pentane-1,4-diamine
CID 90212207
1-(3-methyl-4-pyridinyl)propane-1,2,3-triol
CID 170817371

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol (CID 170827517) is 3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol is NCC(O)C(O)c1ccncc1N.
What is the InChIKey of 3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol?
The InChIKey is QTYAWMWLNBKLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-3-7(12)8(13)5-1-2-11-4-6(5)10/h1-2,4,7-8,12-13H,3,9-10H2.
What are the key properties of 3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol?
3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol has a molecular weight of 183.21 g/mol, XLogP of -0.98, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-amino-4-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 170827517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).