3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol

C14H20N4O2 — CID 66270647

IUPAC3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNc2ccc(CCO)cc2)nn1
InChIInChI=1S/C14H20N4O2/c19-8-1-7-18-11-14(16-17-18)10-15-13-4-2-12(3-5-13)6-9-20/h2-5,11,15,19-20H,1,6-10H2
InChIKeyVNPOFQCEVXHIJO-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.81
Rot. Bonds8

About 3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66270647) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66270647
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol
SMILESOCCCn1cc(CNc2ccc(CCO)cc2)nn1
InChIInChI=1S/C14H20N4O2/c19-8-1-7-18-11-14(16-17-18)10-15-13-4-2-12(3-5-13)6-9-20/h2-5,11,15,19-20H,1,6-10H2
InChIKeyVNPOFQCEVXHIJO-UHFFFAOYSA-N
XLogP0.81
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol (CID 66270647) is 3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol is OCCCn1cc(CNc2ccc(CCO)cc2)nn1.
What is the InChIKey of 3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is VNPOFQCEVXHIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-8-1-7-18-11-14(16-17-18)10-15-13-4-2-12(3-5-13)6-9-20/h2-5,11,15,19-20H,1,6-10H2.
What are the key properties of 3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 276.34 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(2-hydroxyethyl)anilino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66270647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).