3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole

C9H16N4 — CID 63032199

IUPAC3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole
SMILESCCc1nc(C2CCNC2)n(C)n1
InChIInChI=1S/C9H16N4/c1-3-8-11-9(13(2)12-8)7-4-5-10-6-7/h7,10H,3-6H2,1-2H3
InChIKeyMKDRCPZPIYFOTB-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.45
Rot. Bonds2

About 3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole

3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole (PubChem CID 63032199) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole
PubChem CID63032199
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole
SMILESCCc1nc(C2CCNC2)n(C)n1
InChIInChI=1S/C9H16N4/c1-3-8-11-9(13(2)12-8)7-4-5-10-6-7/h7,10H,3-6H2,1-2H3
InChIKeyMKDRCPZPIYFOTB-UHFFFAOYSA-N
XLogP0.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine
CID 62721773
2-[1-butyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-triazol-3-yl]acetamide
CID 97456838
4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917936
4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937
3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione
CID 82466111
4-ethyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 136840128
1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 62721052
2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 62721046
6-ethyl-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84785460
4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-4-methylpiperidine
CID 63124173
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one
CID 112707871

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole?
The IUPAC name of 3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole (CID 63032199) is 3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole?
The canonical SMILES for 3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole is CCc1nc(C2CCNC2)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole?
The InChIKey is MKDRCPZPIYFOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-8-11-9(13(2)12-8)7-4-5-10-6-7/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole?
3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole has a molecular weight of 180.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-pyrrolidin-3-yl-1,2,4-triazole is sourced from PubChem (CID 63032199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).