3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol

C10H20N4O2 — CID 103399191

IUPAC3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
SMILESCC(C)(C)n1cc(CNCC(O)CO)nn1
InChIInChI=1S/C10H20N4O2/c1-10(2,3)14-6-8(12-13-14)4-11-5-9(16)7-15/h6,9,11,15-16H,4-5,7H2,1-3H3
InChIKeyVJXLJEIASVPTNH-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.52
Rot. Bonds5

About 3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol

3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol (PubChem CID 103399191) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
PubChem CID103399191
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
SMILESCC(C)(C)n1cc(CNCC(O)CO)nn1
InChIInChI=1S/C10H20N4O2/c1-10(2,3)14-6-8(12-13-14)4-11-5-9(16)7-15/h6,9,11,15-16H,4-5,7H2,1-3H3
InChIKeyVJXLJEIASVPTNH-UHFFFAOYSA-N
XLogP-0.52
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(1-tert-butyltriazol-4-yl)methylamino]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-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
3-[(1-tert-butyltriazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103527457
3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol
CID 66176969
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine
CID 103527647
2-[[(1-tert-butyltriazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122128001
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 103399289
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 103398952
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide
CID 103399299
1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103527182

Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol (CID 103399191) is 3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol is CC(C)(C)n1cc(CNCC(O)CO)nn1.
What is the InChIKey of 3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol?
The InChIKey is VJXLJEIASVPTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-10(2,3)14-6-8(12-13-14)4-11-5-9(16)7-15/h6,9,11,15-16H,4-5,7H2,1-3H3.
What are the key properties of 3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol?
3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol has a molecular weight of 228.30 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 103399191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).