2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol

C11H21N3O — CID 114684625

IUPAC2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol
SMILESCCCn1nncc1C(O)(CC)C(C)C
InChIInChI=1S/C11H21N3O/c1-5-7-14-10(8-12-13-14)11(15,6-2)9(3)4/h8-9,15H,5-7H2,1-4H3
InChIKeyPMCGITBEIYKTQM-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.94
Rot. Bonds5

About 2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol

2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol (PubChem CID 114684625) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol.

Molecular Properties

Compound Name2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol
PubChem CID114684625
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol
SMILESCCCn1nncc1C(O)(CC)C(C)C
InChIInChI=1S/C11H21N3O/c1-5-7-14-10(8-12-13-14)11(15,6-2)9(3)4/h8-9,15H,5-7H2,1-4H3
InChIKeyPMCGITBEIYKTQM-UHFFFAOYSA-N
XLogP1.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethyl-1H-1,2,3-triazol-4-yl)propan-2-ol
CID 112756264
1-(1-Hexadecyltriazol-4-yl)cyclohexan-1-ol
CID 90643457
2-[1-[(3R)-3,7-dimethyloct-6-enyl]triazol-4-yl]propan-2-ol
CID 134964002
1-(1-Octyltriazol-4-yl)cyclohexan-1-ol
CID 139251724
(E)-3-methyl-2-(3-methyltriazol-4-yl)pent-3-en-2-ol
CID 145994898
2-[3-(2-Fluoroethyl)triazol-4-yl]propan-2-ol
CID 84654618
3,3,3-Trifluoro-1-(3-propyltriazol-4-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312634
3-Amino-1,1,1-trifluoro-2-(3-propyltriazol-4-yl)butan-2-ol
CID 113617894
3-Amino-1,1,1-trifluoro-2-(3-propyltriazol-4-yl)pentan-2-ol
CID 113617895
1-(3-Ethyltriazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 114213009
1-(3-Ethyltriazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 114213606
2-[1-[(3,3-Difluorocyclopentyl)methyl]triazol-4-yl]propan-2-ol
CID 114225086

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol?
The IUPAC name of 2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol (CID 114684625) is 2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol.
What is the SMILES notation for 2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol?
The canonical SMILES for 2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol is CCCn1nncc1C(O)(CC)C(C)C.
What is the InChIKey of 2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol?
The InChIKey is PMCGITBEIYKTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-7-14-10(8-12-13-14)11(15,6-2)9(3)4/h8-9,15H,5-7H2,1-4H3.
What are the key properties of 2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol?
2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol has a molecular weight of 211.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-propyltriazol-4-yl)pentan-3-ol is sourced from PubChem (CID 114684625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).