3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol

C5H7N3O — CID 169452814

IUPAC3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol
SMILESOCC=Cc1ncn[nH]1
InChIInChI=1S/C5H7N3O/c9-3-1-2-5-6-4-7-8-5/h1-2,4,9H,3H2,(H,6,7,8)
InChIKeyJWRUXDLKYNAHAP-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.19
Rot. Bonds2

About 3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol

3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol (PubChem CID 169452814) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol
PubChem CID169452814
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol
SMILESOCC=Cc1ncn[nH]1
InChIInChI=1S/C5H7N3O/c9-3-1-2-5-6-4-7-8-5/h1-2,4,9H,3H2,(H,6,7,8)
InChIKeyJWRUXDLKYNAHAP-UHFFFAOYSA-N
XLogP-0.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
5-ethenyl-1H-1,2,4-triazole
CID 19004185
3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-imine
CID 163955742
3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole
CID 67416716
3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-thiazole
CID 67417521
3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,5-oxadiazole
CID 67416642
5-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2-oxazole
CID 67417679
4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-oxatriazole
CID 67415796
(E)-3-pyrazin-2-ylprop-2-en-1-ol
CID 162376500
2-(1H-1,2,4-triazol-5-yl)propanal
CID 23285057
2-(1H-1,2,4-triazol-5-ylamino)ethanol
CID 66490785
3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine
CID 70401315

Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol?
The IUPAC name of 3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol (CID 169452814) is 3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol is OCC=Cc1ncn[nH]1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol?
The InChIKey is JWRUXDLKYNAHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c9-3-1-2-5-6-4-7-8-5/h1-2,4,9H,3H2,(H,6,7,8).
What are the key properties of 3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol?
3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol has a molecular weight of 125.13 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 169452814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).