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

C10H18N4O2 — CID 82210390

IUPAC3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol
SMILESNCc1nnn(CC(O)CO)c1C1CCC1
InChIInChI=1S/C10H18N4O2/c11-4-9-10(7-2-1-3-7)14(13-12-9)5-8(16)6-15/h7-8,15-16H,1-6,11H2
InChIKeyRESKSQGNRJBJCV-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.64
Rot. Bonds5

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

3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol (PubChem CID 82210390) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol
PubChem CID82210390
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol
SMILESNCc1nnn(CC(O)CO)c1C1CCC1
InChIInChI=1S/C10H18N4O2/c11-4-9-10(7-2-1-3-7)14(13-12-9)5-8(16)6-15/h7-8,15-16H,1-6,11H2
InChIKeyRESKSQGNRJBJCV-UHFFFAOYSA-N
XLogP-0.64
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(aminomethyl)-5-ethyltriazol-1-yl]propane-1,2-diol
CID 82210341
[1,5-di(cyclobutyl)triazol-4-yl]methanamine
CID 105459690
3-[4-(aminomethyl)-5-propyltriazol-1-yl]propane-1,2-diol
CID 82210342
(5-cyclopropyl-1-ethyltriazol-4-yl)methanamine
CID 82207448
3-[4-(aminomethyl)-5-pyridin-4-yltriazol-1-yl]propane-1,2-diol
CID 82210377
[5-cyclobutyl-1-[(2,6-dichlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943290
(5-cyclohexyl-1-hexyltriazol-4-yl)methanamine
CID 82206090
3-[4-(aminomethyl)-5-(3,4-dimethylphenyl)triazol-1-yl]propane-1,2-diol
CID 82210363
(5-cyclopropyl-1-pentyltriazol-4-yl)methanamine
CID 82205832
(2S)-3-(5,7-diaminotriazolo[4,5-d]pyrimidin-3-yl)propane-1,2-diol
CID 513272
3-[4-(hydroxymethyl)-5-propan-2-yltriazol-1-yl]propane-1,2-diol
CID 82210232
[1-[(4-chlorophenyl)methyl]-5-cyclopropyltriazol-4-yl]methanamine
CID 82203359

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol (CID 82210390) is 3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol is NCc1nnn(CC(O)CO)c1C1CCC1.
What is the InChIKey of 3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol?
The InChIKey is RESKSQGNRJBJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c11-4-9-10(7-2-1-3-7)14(13-12-9)5-8(16)6-15/h7-8,15-16H,1-6,11H2.
What are the key properties of 3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol?
3-[4-(aminomethyl)-5-cyclobutyltriazol-1-yl]propane-1,2-diol has a molecular weight of 226.28 g/mol, XLogP of -0.64, 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-cyclobutyltriazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82210390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).