3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol

C12H23N3O — CID 115816529

IUPAC3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCCn1ncnc1CC(O)C(C)C(C)C
InChIInChI=1S/C12H23N3O/c1-5-6-15-12(13-8-14-15)7-11(16)10(4)9(2)3/h8-11,16H,5-7H2,1-4H3
InChIKeyFXOYZWWTKLHBGD-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.88
Rot. Bonds6

About 3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol

3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol (PubChem CID 115816529) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
PubChem CID115816529
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCCn1ncnc1CC(O)C(C)C(C)C
InChIInChI=1S/C12H23N3O/c1-5-6-15-12(13-8-14-15)7-11(16)10(4)9(2)3/h8-11,16H,5-7H2,1-4H3
InChIKeyFXOYZWWTKLHBGD-UHFFFAOYSA-N
XLogP1.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
N,3,4-trimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 105003061
2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81017156
1-(2-propyl-1,2,4-triazol-3-yl)undecan-2-ol
CID 115816507
3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 83138306
N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 79411663
2-methyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 80557324
5-[2-(chloromethyl)butyl]-1-propyl-1,2,4-triazole
CID 66034116
1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 106634605
1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109766
[1-propan-2-yloxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105319094
1,1,1-trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002958

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol?
The IUPAC name of 3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol (CID 115816529) is 3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol.
What is the SMILES notation for 3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol?
The canonical SMILES for 3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol is CCCn1ncnc1CC(O)C(C)C(C)C.
What is the InChIKey of 3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol?
The InChIKey is FXOYZWWTKLHBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-15-12(13-8-14-15)7-11(16)10(4)9(2)3/h8-11,16H,5-7H2,1-4H3.
What are the key properties of 3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol?
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol is sourced from PubChem (CID 115816529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).