4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole

C10H18N4O — CID 62711244

IUPAC4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1CC1CCCN1
InChIInChI=1S/C10H18N4O/c1-15-6-5-14-8-12-13-10(14)7-9-3-2-4-11-9/h8-9,11H,2-7H2,1H3
InChIKeyXDXAXYICDMOSBZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.22
Rot. Bonds5

About 4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole

4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole (PubChem CID 62711244) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
PubChem CID62711244
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1CC1CCCN1
InChIInChI=1S/C10H18N4O/c1-15-6-5-14-8-12-13-10(14)7-9-3-2-4-11-9/h8-9,11H,2-7H2,1H3
InChIKeyXDXAXYICDMOSBZ-UHFFFAOYSA-N
XLogP0.22
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62694265
4-(2-methoxyethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-triazole
CID 94554648
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
CID 94554646
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine
CID 146042550
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393769
4-benzyl-3-(2-pyrrolidin-2-ylethyl)-1,2,4-triazole
CID 172908827
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]piperidin-4-amine
CID 131913113

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole (CID 62711244) is 4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole is COCCn1cnnc1CC1CCCN1.
What is the InChIKey of 4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
The InChIKey is XDXAXYICDMOSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-15-6-5-14-8-12-13-10(14)7-9-3-2-4-11-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole?
4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole has a molecular weight of 210.28 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole is sourced from PubChem (CID 62711244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).