3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol

C11H13N3O — CID 102338453

IUPAC3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol
SMILES[2H]c1c(-c2ccccc2)nnn1CCCO
InChIInChI=1S/C11H13N3O/c15-8-4-7-14-9-11(12-13-14)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2/i9D
InChIKeyDVJYHELGOBNVGW-QOWOAITPSA-N
MW204.25 g/mol
LogP1.33
Rot. Bonds4

About 3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol

3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol (PubChem CID 102338453) has the molecular formula C11H13N3O and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol
PubChem CID102338453
Molecular FormulaC11H13N3O
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol
SMILES[2H]c1c(-c2ccccc2)nnn1CCCO
InChIInChI=1S/C11H13N3O/c15-8-4-7-14-9-11(12-13-14)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2/i9D
InChIKeyDVJYHELGOBNVGW-QOWOAITPSA-N
XLogP1.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(5-deuterio-4-phenyltriazol-1-yl)hexyl]isoindole-1,3-dione
CID 102338449
5-deuterio-1-[dideuterio(phenyl)methyl]-4-phenyltriazole
CID 155935491
3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride
CID 86262386
1-methyl-4-phenyltriazole
CID 11309663
5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
CID 118336678
1-[2-(4-phenyltriazol-1-yl)ethyl]cyclopropan-1-ol
CID 166251756
1-(2-methoxyethyl)-4-phenyltriazole
CID 50852603
trifluoro-[(4-phenyltriazol-1-yl)methyl]boranuide
CID 102386878
3-(3-hydroxypropyl)-5-phenyltriazole-4-carbonitrile
CID 136572145
2-phenyl-1,3-bis(4-phenyltriazol-1-yl)propan-2-ol
CID 137350411
2-(4-methyl-5-phenyltriazol-1-yl)ethanol
CID 18726601
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060

Frequently Asked Questions

What is the IUPAC name of 3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol?
The IUPAC name of 3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol (CID 102338453) is 3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol is [2H]c1c(-c2ccccc2)nnn1CCCO.
What is the InChIKey of 3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol?
The InChIKey is DVJYHELGOBNVGW-QOWOAITPSA-N. The full InChI is InChI=1S/C11H13N3O/c15-8-4-7-14-9-11(12-13-14)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2/i9D.
What are the key properties of 3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol?
3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol has a molecular weight of 204.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-deuterio-4-phenyltriazol-1-yl)propan-1-ol is sourced from PubChem (CID 102338453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).