2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol

C18H20N4O — CID 71972836

IUPAC2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol
SMILESCc1cc(CNc2ccc(CCO)cc2)ccc1-n1cncn1
InChIInChI=1S/C18H20N4O/c1-14-10-16(4-7-18(14)22-13-19-12-21-22)11-20-17-5-2-15(3-6-17)8-9-23/h2-7,10,12-13,20,23H,8-9,11H2,1H3
InChIKeyVFVIDLTZXSQHMQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.72
Rot. Bonds6

About 2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol

2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol (PubChem CID 71972836) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol
PubChem CID71972836
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol
SMILESCc1cc(CNc2ccc(CCO)cc2)ccc1-n1cncn1
InChIInChI=1S/C18H20N4O/c1-14-10-16(4-7-18(14)22-13-19-12-21-22)11-20-17-5-2-15(3-6-17)8-9-23/h2-7,10,12-13,20,23H,8-9,11H2,1H3
InChIKeyVFVIDLTZXSQHMQ-UHFFFAOYSA-N
XLogP2.72
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol (CID 71972836) is 2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol is Cc1cc(CNc2ccc(CCO)cc2)ccc1-n1cncn1.
What is the InChIKey of 2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol?
The InChIKey is VFVIDLTZXSQHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14-10-16(4-7-18(14)22-13-19-12-21-22)11-20-17-5-2-15(3-6-17)8-9-23/h2-7,10,12-13,20,23H,8-9,11H2,1H3.
What are the key properties of 2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol?
2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol has a molecular weight of 308.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]ethanol is sourced from PubChem (CID 71972836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).