1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol

C14H23N5O — CID 105109707

IUPAC1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
SMILESCCCn1ncnc1CC(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C14H23N5O/c1-5-6-19-14(15-9-16-19)8-12(20)7-13-10(2)17-18(4)11(13)3/h9,12,20H,5-8H2,1-4H3
InChIKeyIJOPLQSYPOOOKJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.18
Rot. Bonds6

About 1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol

1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol (PubChem CID 105109707) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
PubChem CID105109707
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
SMILESCCCn1ncnc1CC(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C14H23N5O/c1-5-6-19-14(15-9-16-19)8-12(20)7-13-10(2)17-18(4)11(13)3/h9,12,20H,5-8H2,1-4H3
InChIKeyIJOPLQSYPOOOKJ-UHFFFAOYSA-N
XLogP1.18
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-propyl-1,2,4-triazol-3-yl)undecan-2-ol
CID 115816507
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109760
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105122498
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105161839
1-(2-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109761
1-(4-propoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095079
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109691
1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109766
1-(4-chlorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol
CID 66144345
1-(2-ethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105095807

Frequently Asked Questions

What is the IUPAC name of 1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol (CID 105109707) is 1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol is CCCn1ncnc1CC(O)Cc1c(C)nn(C)c1C.
What is the InChIKey of 1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol?
The InChIKey is IJOPLQSYPOOOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-5-6-19-14(15-9-16-19)8-12(20)7-13-10(2)17-18(4)11(13)3/h9,12,20H,5-8H2,1-4H3.
What are the key properties of 1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol?
1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol has a molecular weight of 277.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 105109707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).