5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol

C12H24N4O — CID 166838064

IUPAC5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol
SMILESCC(C)(CO)CC(C)(C)Cn1cc(CN)nn1
InChIInChI=1S/C12H24N4O/c1-11(2,7-12(3,4)9-17)8-16-6-10(5-13)14-15-16/h6,17H,5,7-9,13H2,1-4H3
InChIKeyUXQDIMQYGHCCCI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.17
Rot. Bonds6

About 5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol

5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol (PubChem CID 166838064) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol.

Molecular Properties

Compound Name5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol
PubChem CID166838064
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol
SMILESCC(C)(CO)CC(C)(C)Cn1cc(CN)nn1
InChIInChI=1S/C12H24N4O/c1-11(2,7-12(3,4)9-17)8-16-6-10(5-13)14-15-16/h6,17H,5,7-9,13H2,1-4H3
InChIKeyUXQDIMQYGHCCCI-UHFFFAOYSA-N
XLogP1.17
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol?
The IUPAC name of 5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol (CID 166838064) is 5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol.
What is the SMILES notation for 5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol?
The canonical SMILES for 5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol is CC(C)(CO)CC(C)(C)Cn1cc(CN)nn1.
What is the InChIKey of 5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol?
The InChIKey is UXQDIMQYGHCCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-11(2,7-12(3,4)9-17)8-16-6-10(5-13)14-15-16/h6,17H,5,7-9,13H2,1-4H3.
What are the key properties of 5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol?
5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol is sourced from PubChem (CID 166838064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).