3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole

C14H22N6O — CID 99936744

IUPAC3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
SMILESCOCCn1ccnc1CN1CCC[C@@H]1c1n[nH]c(C)n1
InChIInChI=1S/C14H22N6O/c1-11-16-14(18-17-11)12-4-3-6-20(12)10-13-15-5-7-19(13)8-9-21-2/h5,7,12H,3-4,6,8-10H2,1-2H3,(H,16,17,18)/t12-/m1/s1
InChIKeyUCDRNISYAHCMPS-GFCCVEGCSA-N
MW290.37 g/mol
LogP1.29
Rot. Bonds6

About 3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole

3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole (PubChem CID 99936744) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
PubChem CID99936744
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
SMILESCOCCn1ccnc1CN1CCC[C@@H]1c1n[nH]c(C)n1
InChIInChI=1S/C14H22N6O/c1-11-16-14(18-17-11)12-4-3-6-20(12)10-13-15-5-7-19(13)8-9-21-2/h5,7,12H,3-4,6,8-10H2,1-2H3,(H,16,17,18)/t12-/m1/s1
InChIKeyUCDRNISYAHCMPS-GFCCVEGCSA-N
XLogP1.29
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole (CID 99936744) is 3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole is COCCn1ccnc1CN1CCC[C@@H]1c1n[nH]c(C)n1.
What is the InChIKey of 3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
The InChIKey is UCDRNISYAHCMPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11-16-14(18-17-11)12-4-3-6-20(12)10-13-15-5-7-19(13)8-9-21-2/h5,7,12H,3-4,6,8-10H2,1-2H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of 3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole?
3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole has a molecular weight of 290.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 99936744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).