3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol

C10H17F3N4O — CID 112744629

IUPAC3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCC(N)C(O)(c1ncnn1C(C)C)C(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-4-7(14)9(18,10(11,12)13)8-15-5-16-17(8)6(2)3/h5-7,18H,4,14H2,1-3H3
InChIKeyXPFHCNXGIGQUSU-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.35
Rot. Bonds4

About 3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol

3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol (PubChem CID 112744629) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
PubChem CID112744629
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCC(N)C(O)(c1ncnn1C(C)C)C(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-4-7(14)9(18,10(11,12)13)8-15-5-16-17(8)6(2)3/h5-7,18H,4,14H2,1-3H3
InChIKeyXPFHCNXGIGQUSU-UHFFFAOYSA-N
XLogP1.35
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol with MolForge

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Related Compounds

1-[1-(2-Ethyl-4,4,4-trifluorobutyl)-1,2,4-triazol-3-yl]cyclobutan-1-ol
CID 167992541
2-Amino-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 19820352
(1S,2S)-2-amino-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 22843593
(1S,2R)-2-amino-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 54488236
(1R)-2-amino-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 70041791
(1R,2S)-2-amino-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 70041793
1-(1-Piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol
CID 174285577
1-Amino-4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol
CID 64821444
3-[(2-Propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
CID 65611733
1-Amino-4-(3,5-diethyl-1,2,4-triazol-1-yl)-2-methylpentan-2-ol
CID 65700618
4-(Ethylamino)-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 65984540
2-Methyl-4-(propan-2-ylamino)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65984559

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol (CID 112744629) is 3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol is CCC(N)C(O)(c1ncnn1C(C)C)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The InChIKey is XPFHCNXGIGQUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-4-7(14)9(18,10(11,12)13)8-15-5-16-17(8)6(2)3/h5-7,18H,4,14H2,1-3H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol has a molecular weight of 266.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol is sourced from PubChem (CID 112744629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).