2,3-bis(triazol-1-yl)propan-1-ol

C7H10N6O — CID 118272391

IUPAC2,3-bis(triazol-1-yl)propan-1-ol
SMILESOCC(Cn1ccnn1)n1ccnn1
InChIInChI=1S/C7H10N6O/c14-6-7(13-4-2-9-11-13)5-12-3-1-8-10-12/h1-4,7,14H,5-6H2
InChIKeyUPFBJDRLQXTMIL-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.90
Rot. Bonds4

About 2,3-bis(triazol-1-yl)propan-1-ol

2,3-bis(triazol-1-yl)propan-1-ol (PubChem CID 118272391) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 2,3-bis(triazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name2,3-bis(triazol-1-yl)propan-1-ol
PubChem CID118272391
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name2,3-bis(triazol-1-yl)propan-1-ol
SMILESOCC(Cn1ccnn1)n1ccnn1
InChIInChI=1S/C7H10N6O/c14-6-7(13-4-2-9-11-13)5-12-3-1-8-10-12/h1-4,7,14H,5-6H2
InChIKeyUPFBJDRLQXTMIL-UHFFFAOYSA-N
XLogP-0.90
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(triazol-1-yl)propan-1-ol?
The IUPAC name of 2,3-bis(triazol-1-yl)propan-1-ol (CID 118272391) is 2,3-bis(triazol-1-yl)propan-1-ol.
What is the SMILES notation for 2,3-bis(triazol-1-yl)propan-1-ol?
The canonical SMILES for 2,3-bis(triazol-1-yl)propan-1-ol is OCC(Cn1ccnn1)n1ccnn1.
What is the InChIKey of 2,3-bis(triazol-1-yl)propan-1-ol?
The InChIKey is UPFBJDRLQXTMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c14-6-7(13-4-2-9-11-13)5-12-3-1-8-10-12/h1-4,7,14H,5-6H2.
What are the key properties of 2,3-bis(triazol-1-yl)propan-1-ol?
2,3-bis(triazol-1-yl)propan-1-ol has a molecular weight of 194.20 g/mol, XLogP of -0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(triazol-1-yl)propan-1-ol is sourced from PubChem (CID 118272391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).