3-(triazol-1-ylmethyl)pyrrolidin-3-ol

C7H12N4O — CID 122156743

IUPAC3-(triazol-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(Cn2ccnn2)CCNC1
InChIInChI=1S/C7H12N4O/c12-7(1-2-8-5-7)6-11-4-3-9-10-11/h3-4,8,12H,1-2,5-6H2
InChIKeyAICCMKDGDNPEPF-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.00
Rot. Bonds2

About 3-(triazol-1-ylmethyl)pyrrolidin-3-ol

3-(triazol-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 122156743) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(triazol-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(triazol-1-ylmethyl)pyrrolidin-3-ol
PubChem CID122156743
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-(triazol-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(Cn2ccnn2)CCNC1
InChIInChI=1S/C7H12N4O/c12-7(1-2-8-5-7)6-11-4-3-9-10-11/h3-4,8,12H,1-2,5-6H2
InChIKeyAICCMKDGDNPEPF-UHFFFAOYSA-N
XLogP-1.00
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(triazol-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(triazol-1-ylmethyl)pyrrolidin-3-ol (CID 122156743) is 3-(triazol-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(triazol-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(triazol-1-ylmethyl)pyrrolidin-3-ol is OC1(Cn2ccnn2)CCNC1.
What is the InChIKey of 3-(triazol-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is AICCMKDGDNPEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c12-7(1-2-8-5-7)6-11-4-3-9-10-11/h3-4,8,12H,1-2,5-6H2.
What are the key properties of 3-(triazol-1-ylmethyl)pyrrolidin-3-ol?
3-(triazol-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 168.20 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triazol-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 122156743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).