3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol

C8H17N5O — CID 66268362

IUPAC3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESNCCNCc1cn(CCCO)nn1
InChIInChI=1S/C8H17N5O/c9-2-3-10-6-8-7-13(12-11-8)4-1-5-14/h7,10,14H,1-6,9H2
InChIKeyCMWQHJMFOHWVHN-UHFFFAOYSA-N
MW199.26 g/mol
LogP-1.29
Rot. Bonds7

About 3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol

3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol (PubChem CID 66268362) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
PubChem CID66268362
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
SMILESNCCNCc1cn(CCCO)nn1
InChIInChI=1S/C8H17N5O/c9-2-3-10-6-8-7-13(12-11-8)4-1-5-14/h7,10,14H,1-6,9H2
InChIKeyCMWQHJMFOHWVHN-UHFFFAOYSA-N
XLogP-1.29
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol 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-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268914
3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268182
3-[4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269290
3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
3-[4-[[2-(furan-2-yl)ethylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269867
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol (CID 66268362) is 3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol is NCCNCc1cn(CCCO)nn1.
What is the InChIKey of 3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is CMWQHJMFOHWVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c9-2-3-10-6-8-7-13(12-11-8)4-1-5-14/h7,10,14H,1-6,9H2.
What are the key properties of 3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol?
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 199.26 g/mol, XLogP of -1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66268362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).