2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol

C13H25N5O — CID 110912831

IUPAC2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol
SMILESCC(C)c1nnc(CN2CCN(CCO)CC2)n1C
InChIInChI=1S/C13H25N5O/c1-11(2)13-15-14-12(16(13)3)10-18-6-4-17(5-7-18)8-9-19/h11,19H,4-10H2,1-3H3
InChIKeyYNFDUAAMCYXFAL-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.05
Rot. Bonds5

About 2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 110912831) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol
PubChem CID110912831
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol
SMILESCC(C)c1nnc(CN2CCN(CCO)CC2)n1C
InChIInChI=1S/C13H25N5O/c1-11(2)13-15-14-12(16(13)3)10-18-6-4-17(5-7-18)8-9-19/h11,19H,4-10H2,1-3H3
InChIKeyYNFDUAAMCYXFAL-UHFFFAOYSA-N
XLogP0.05
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol (CID 110912831) is 2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol is CC(C)c1nnc(CN2CCN(CCO)CC2)n1C.
What is the InChIKey of 2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is YNFDUAAMCYXFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-11(2)13-15-14-12(16(13)3)10-18-6-4-17(5-7-18)8-9-19/h11,19H,4-10H2,1-3H3.
What are the key properties of 2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 267.38 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 110912831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).