2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol

C13H21N5O — CID 66131445

IUPAC2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
SMILESCCCn1cncc1C(O)Cc1ncnn1C(C)C
InChIInChI=1S/C13H21N5O/c1-4-5-17-9-14-7-11(17)12(19)6-13-15-8-16-18(13)10(2)3/h7-10,12,19H,4-6H2,1-3H3
InChIKeyLKTAQQNXRLZNBW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.74
Rot. Bonds6

About 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol

2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol (PubChem CID 66131445) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
PubChem CID66131445
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
SMILESCCCn1cncc1C(O)Cc1ncnn1C(C)C
InChIInChI=1S/C13H21N5O/c1-4-5-17-9-14-7-11(17)12(19)6-13-15-8-16-18(13)10(2)3/h7-10,12,19H,4-6H2,1-3H3
InChIKeyLKTAQQNXRLZNBW-UHFFFAOYSA-N
XLogP1.74
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol?
The IUPAC name of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol (CID 66131445) is 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol is CCCn1cncc1C(O)Cc1ncnn1C(C)C.
What is the InChIKey of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol?
The InChIKey is LKTAQQNXRLZNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-5-17-9-14-7-11(17)12(19)6-13-15-8-16-18(13)10(2)3/h7-10,12,19H,4-6H2,1-3H3.
What are the key properties of 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol?
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol has a molecular weight of 263.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol is sourced from PubChem (CID 66131445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).