1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol

C9H18N4O — CID 114496907

IUPAC1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)Cn1cc(CCN)nn1
InChIInChI=1S/C9H18N4O/c1-3-9(2,14)7-13-6-8(4-5-10)11-12-13/h6,14H,3-5,7,10H2,1-2H3
InChIKeyQOOWQJDIYWPNPZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.06
Rot. Bonds5

About 1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol

1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol (PubChem CID 114496907) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol
PubChem CID114496907
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)Cn1cc(CCN)nn1
InChIInChI=1S/C9H18N4O/c1-3-9(2,14)7-13-6-8(4-5-10)11-12-13/h6,14H,3-5,7,10H2,1-2H3
InChIKeyQOOWQJDIYWPNPZ-UHFFFAOYSA-N
XLogP-0.06
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(tert-butylamino)methyl]triazol-1-yl]-2-methylbutan-2-ol
CID 114497656
1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol
CID 114496925
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]ethanamine
CID 116641681
2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide
CID 116642329
3-[4-(2-aminoethyl)triazol-1-yl]-2,2-dimethyl-N-phenylpropanamide
CID 116641892
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine
CID 116642052
1-[4-(diethoxymethyl)triazol-1-yl]-2-methylbutan-2-ol
CID 114497647
2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine
CID 116642242
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
2-ethyl-4-[(4-ethyltriazol-1-yl)methyl]-2,4-dimethylhexan-1-ol
CID 166838069

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol (CID 114496907) is 1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol is CCC(C)(O)Cn1cc(CCN)nn1.
What is the InChIKey of 1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol?
The InChIKey is QOOWQJDIYWPNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-9(2,14)7-13-6-8(4-5-10)11-12-13/h6,14H,3-5,7,10H2,1-2H3.
What are the key properties of 1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol?
1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol has a molecular weight of 198.27 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)triazol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 114496907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).