1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol

C14H18N4O — CID 114685283

IUPAC1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol
SMILESCC1CC(O)(c2cnnn2-c2ccccc2)CN1C
InChIInChI=1S/C14H18N4O/c1-11-8-14(19,10-17(11)2)13-9-15-16-18(13)12-6-4-3-5-7-12/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyKOJFACPJPUGCPX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.18
Rot. Bonds2

About 1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol

1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol (PubChem CID 114685283) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol
PubChem CID114685283
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol
SMILESCC1CC(O)(c2cnnn2-c2ccccc2)CN1C
InChIInChI=1S/C14H18N4O/c1-11-8-14(19,10-17(11)2)13-9-15-16-18(13)12-6-4-3-5-7-12/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyKOJFACPJPUGCPX-UHFFFAOYSA-N
XLogP1.18
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol (CID 114685283) is 1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol is CC1CC(O)(c2cnnn2-c2ccccc2)CN1C.
What is the InChIKey of 1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol?
The InChIKey is KOJFACPJPUGCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-8-14(19,10-17(11)2)13-9-15-16-18(13)12-6-4-3-5-7-12/h3-7,9,11,19H,8,10H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol?
1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol has a molecular weight of 258.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 114685283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).