3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol

C8H16N4O2 — CID 82210341

IUPAC3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol
SMILESCCc1c(CN)nnn1CC(O)CO
InChIInChI=1S/C8H16N4O2/c1-2-8-7(3-9)10-11-12(8)4-6(14)5-13/h6,13-14H,2-5,9H2,1H3
InChIKeyWFBSGGVMVLACTQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.35
Rot. Bonds5

About 3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol

3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol (PubChem CID 82210341) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol
PubChem CID82210341
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol
SMILESCCc1c(CN)nnn1CC(O)CO
InChIInChI=1S/C8H16N4O2/c1-2-8-7(3-9)10-11-12(8)4-6(14)5-13/h6,13-14H,2-5,9H2,1H3
InChIKeyWFBSGGVMVLACTQ-UHFFFAOYSA-N
XLogP-1.35
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[4-(aminomethyl)-5-ethyltriazol-1-yl]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

3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol
CID 82210342
3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol
CID 82210390
3-[4-(aminomethyl)-5-(3,4-dimethylphenyl)triazol-1-yl]propane-1,2-diol
CID 82210363
3-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]propane-1,2-diol
CID 82210377
3-[4-(hydroxymethyl)-5-propan-2-yltriazol-1-yl]propane-1,2-diol
CID 82210232
[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
CID 82208944
[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine
CID 82203818
[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
CID 82203709
1-(2,3-dihydroxypropyl)-5-propan-2-yltriazole-4-carboxylic acid
CID 79015240
2-[4-(aminomethyl)-5-(2-methylpropyl)triazol-1-yl]acetonitrile
CID 82206632
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
(1-propan-2-yl-5-propyltriazol-4-yl)methanamine
CID 82207030

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol (CID 82210341) is 3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol is CCc1c(CN)nnn1CC(O)CO.
What is the InChIKey of 3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol?
The InChIKey is WFBSGGVMVLACTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-2-8-7(3-9)10-11-12(8)4-6(14)5-13/h6,13-14H,2-5,9H2,1H3.
What are the key properties of 3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol?
3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol has a molecular weight of 200.24 g/mol, XLogP of -1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82210341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).