1-(1,2,4-triazolidin-1-yl)propan-2-ol

C5H13N3O — CID 141008199

IUPAC1-(1,2,4-triazolidin-1-yl)propan-2-ol
SMILESCC(O)CN1CNCN1
InChIInChI=1S/C5H13N3O/c1-5(9)2-8-4-6-3-7-8/h5-7,9H,2-4H2,1H3
InChIKeyYGBUGWPKNPYGTI-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.31
Rot. Bonds2

About 1-(1,2,4-triazolidin-1-yl)propan-2-ol

1-(1,2,4-triazolidin-1-yl)propan-2-ol (PubChem CID 141008199) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(1,2,4-triazolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1,2,4-triazolidin-1-yl)propan-2-ol
PubChem CID141008199
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name1-(1,2,4-triazolidin-1-yl)propan-2-ol
SMILESCC(O)CN1CNCN1
InChIInChI=1S/C5H13N3O/c1-5(9)2-8-4-6-3-7-8/h5-7,9H,2-4H2,1H3
InChIKeyYGBUGWPKNPYGTI-UHFFFAOYSA-N
XLogP-1.31
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

piperazine;1-piperazin-1-ylpropan-2-ol
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1-[10-(2-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propan-2-ol
CID 18413085
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
1-propan-2-yl-1,3,5-triazinane
CID 21323958
(2R)-1-[(2S,5R)-4-[(2S)-2-hydroxypropyl]-2,5-dimethylpiperazin-1-yl]propan-2-ol
CID 124524922
4-[(2R)-2-hydroxypropyl]piperazin-2-one
CID 92979224
1-[(2S)-2-hydroxypropyl]piperazin-2-one
CID 96979456
(2S)-1-(2-azabicyclo[2.2.2]octan-2-yl)propan-2-ol
CID 130595131
(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol
CID 98219220

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-triazolidin-1-yl)propan-2-ol?
The IUPAC name of 1-(1,2,4-triazolidin-1-yl)propan-2-ol (CID 141008199) is 1-(1,2,4-triazolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(1,2,4-triazolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(1,2,4-triazolidin-1-yl)propan-2-ol is CC(O)CN1CNCN1.
What is the InChIKey of 1-(1,2,4-triazolidin-1-yl)propan-2-ol?
The InChIKey is YGBUGWPKNPYGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-5(9)2-8-4-6-3-7-8/h5-7,9H,2-4H2,1H3.
What are the key properties of 1-(1,2,4-triazolidin-1-yl)propan-2-ol?
1-(1,2,4-triazolidin-1-yl)propan-2-ol has a molecular weight of 131.18 g/mol, XLogP of -1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazolidin-1-yl)propan-2-ol is sourced from PubChem (CID 141008199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).