phenol;propane;2H-triazole

C11H17N3O — CID 175597378

IUPACphenol;propane;2H-triazole
SMILESCCC.Oc1ccccc1.c1cn[nH]n1
InChIInChI=1S/C6H6O.C3H8.C2H3N3/c7-6-4-2-1-3-5-6;1-3-2;1-2-4-5-3-1/h1-5,7H;3H2,1-2H3;1-2H,(H,3,4,5)
InChIKeyYRTNUEKHTNMTCE-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.61
Rot. Bonds

About phenol;propane;2H-triazole

phenol;propane;2H-triazole (PubChem CID 175597378) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is phenol;propane;2H-triazole.

Molecular Properties

Compound Namephenol;propane;2H-triazole
PubChem CID175597378
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Namephenol;propane;2H-triazole
SMILESCCC.Oc1ccccc1.c1cn[nH]n1
InChIInChI=1S/C6H6O.C3H8.C2H3N3/c7-6-4-2-1-3-5-6;1-3-2;1-2-4-5-3-1/h1-5,7H;3H2,1-2H3;1-2H,(H,3,4,5)
InChIKeyYRTNUEKHTNMTCE-UHFFFAOYSA-N
XLogP2.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenol;propane;2H-triazole?
The IUPAC name of phenol;propane;2H-triazole (CID 175597378) is phenol;propane;2H-triazole.
What is the SMILES notation for phenol;propane;2H-triazole?
The canonical SMILES for phenol;propane;2H-triazole is CCC.Oc1ccccc1.c1cn[nH]n1.
What is the InChIKey of phenol;propane;2H-triazole?
The InChIKey is YRTNUEKHTNMTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C3H8.C2H3N3/c7-6-4-2-1-3-5-6;1-3-2;1-2-4-5-3-1/h1-5,7H;3H2,1-2H3;1-2H,(H,3,4,5).
What are the key properties of phenol;propane;2H-triazole?
phenol;propane;2H-triazole has a molecular weight of 207.28 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;propane;2H-triazole is sourced from PubChem (CID 175597378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).