2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol

C14H16N6O — CID 64829397

IUPAC2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccc(-n3nccn3)cc2)cn1
InChIInChI=1S/C14H16N6O/c21-8-7-19-11-12(10-18-19)9-15-13-1-3-14(4-2-13)20-16-5-6-17-20/h1-6,10-11,15,21H,7-9H2
InChIKeyQFRSQZHVOAETCA-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.07
Rot. Bonds6

About 2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol

2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64829397) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol
PubChem CID64829397
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNc2ccc(-n3nccn3)cc2)cn1
InChIInChI=1S/C14H16N6O/c21-8-7-19-11-12(10-18-19)9-15-13-1-3-14(4-2-13)20-16-5-6-17-20/h1-6,10-11,15,21H,7-9H2
InChIKeyQFRSQZHVOAETCA-UHFFFAOYSA-N
XLogP1.07
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol (CID 64829397) is 2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNc2ccc(-n3nccn3)cc2)cn1.
What is the InChIKey of 2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is QFRSQZHVOAETCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c21-8-7-19-11-12(10-18-19)9-15-13-1-3-14(4-2-13)20-16-5-6-17-20/h1-6,10-11,15,21H,7-9H2.
What are the key properties of 2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 284.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64829397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).