1H-imidazole;propane-1,2,3-triol

C6H12N2O3 — CID 22057590

IUPAC1H-imidazole;propane-1,2,3-triol
SMILESOCC(O)CO.c1c[nH]cn1
InChIInChI=1S/C3H4N2.C3H8O3/c1-2-5-3-4-1;4-1-3(6)2-5/h1-3H,(H,4,5);3-6H,1-2H2
InChIKeyVKLNQSCYXLZWNK-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.26
Rot. Bonds2

About 1H-imidazole;propane-1,2,3-triol

1H-imidazole;propane-1,2,3-triol (PubChem CID 22057590) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1H-imidazole;propane-1,2,3-triol.

Molecular Properties

Compound Name1H-imidazole;propane-1,2,3-triol
PubChem CID22057590
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1H-imidazole;propane-1,2,3-triol
SMILESOCC(O)CO.c1c[nH]cn1
InChIInChI=1S/C3H4N2.C3H8O3/c1-2-5-3-4-1;4-1-3(6)2-5/h1-3H,(H,4,5);3-6H,1-2H2
InChIKeyVKLNQSCYXLZWNK-UHFFFAOYSA-N
XLogP-1.26
TPSA89.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-imidazol-2-yldisulfanyl)butan-2-ol
CID 10219889
1-(1H-imidazol-2-yl)ethan-1-ol
CID 15055958
2-(1H-imidazol-2-yl)ethan-1-ol
CID 15016080
1-(1H-imidazol-2-yl)propan-1-ol
CID 17913133
2-(1H-imidazol-2-yl)ethan-1-ol hydrochloride
CID 165943563
1-(1H-imidazol-2-yl)propan-2-ol
CID 22055139
1-(1H-imidazol-2-yl)propan-2-ol hydrochloride
CID 71756018
3-(1H-imidazol-2-yl)propan-1-ol hydrochloride
CID 138991177
(2S)-1-(1H-imidazol-2-yl)propan-2-ol
CID 10898723
Imidazole malate
CID 18448817
Imidazole methanol
CID 19848330
Alcohol-imidazole
CID 21715454

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;propane-1,2,3-triol?
The IUPAC name of 1H-imidazole;propane-1,2,3-triol (CID 22057590) is 1H-imidazole;propane-1,2,3-triol.
What is the SMILES notation for 1H-imidazole;propane-1,2,3-triol?
The canonical SMILES for 1H-imidazole;propane-1,2,3-triol is OCC(O)CO.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;propane-1,2,3-triol?
The InChIKey is VKLNQSCYXLZWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C3H8O3/c1-2-5-3-4-1;4-1-3(6)2-5/h1-3H,(H,4,5);3-6H,1-2H2.
What are the key properties of 1H-imidazole;propane-1,2,3-triol?
1H-imidazole;propane-1,2,3-triol has a molecular weight of 160.17 g/mol, XLogP of -1.26, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;propane-1,2,3-triol is sourced from PubChem (CID 22057590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).