1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol

C5H9N3O2 — CID 67570980

IUPAC1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
SMILESCC(O)C(O)c1ncn[nH]1
InChIInChI=1S/C5H9N3O2/c1-3(9)4(10)5-6-2-7-8-5/h2-4,9-10H,1H3,(H,6,7,8)
InChIKeyTVHLZROEKSHNHZ-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.78
Rot. Bonds2

About 1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol

1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol (PubChem CID 67570980) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
PubChem CID67570980
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
SMILESCC(O)C(O)c1ncn[nH]1
InChIInChI=1S/C5H9N3O2/c1-3(9)4(10)5-6-2-7-8-5/h2-4,9-10H,1H3,(H,6,7,8)
InChIKeyTVHLZROEKSHNHZ-UHFFFAOYSA-N
XLogP-0.78
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
3-bromo-1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 171859372
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
methyl 2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propanoate
CID 171863476
3,4-dihydroxy-4-(1H-1,2,4-triazol-5-yl)butanenitrile
CID 171900355
methyl 3,4-dihydroxy-4-(1H-1,2,4-triazol-5-yl)butanoate
CID 171894981
[2,3-dihydroxy-3-(1H-1,2,4-triazol-5-yl)propyl]phosphonic acid
CID 54104508
3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 65362596
1-(1H-1,2,4-triazol-5-yl)hexan-1-ol
CID 65362645
3-(1H-1,2,4-triazol-5-yl)butanoic acid
CID 83389337
2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 106282694

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol (CID 67570980) is 1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol is CC(O)C(O)c1ncn[nH]1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol?
The InChIKey is TVHLZROEKSHNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3(9)4(10)5-6-2-7-8-5/h2-4,9-10H,1H3,(H,6,7,8).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol?
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol has a molecular weight of 143.15 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol is sourced from PubChem (CID 67570980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).