5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine

C9H14N4 — CID 105437732

IUPAC5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine
SMILESCCc1cnnc(C2CCNC2)n1
InChIInChI=1S/C9H14N4/c1-2-8-6-11-13-9(12-8)7-3-4-10-5-7/h6-7,10H,2-5H2,1H3
InChIKeyNTTDTIIDYCGSFD-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.51
Rot. Bonds2

About 5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine

5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine (PubChem CID 105437732) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine
PubChem CID105437732
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine
SMILESCCc1cnnc(C2CCNC2)n1
InChIInChI=1S/C9H14N4/c1-2-8-6-11-13-9(12-8)7-3-4-10-5-7/h6-7,10H,2-5H2,1H3
InChIKeyNTTDTIIDYCGSFD-UHFFFAOYSA-N
XLogP0.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-4-yl-5-propyl-1,2,4-triazine
CID 105459553
5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine
CID 105459668
5-cyclopropyl-3-piperidin-4-yl-1,2,4-triazine
CID 105456701
4-cyclopropyl-6-ethyl-2-piperidin-4-ylpyrimidine
CID 55206429
2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 124673400
6-ethyl-2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84785460
5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine
CID 105446545
4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82414141
5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129493408
5-ethyl-2-piperidin-4-ylpyrimidine
CID 83697990
4-tert-butyl-5-ethyl-2-pyrrolidin-3-yl-1H-imidazole
CID 105478440
6-ethyl-2-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563627

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine?
The IUPAC name of 5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine (CID 105437732) is 5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine.
What is the SMILES notation for 5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine?
The canonical SMILES for 5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine is CCc1cnnc(C2CCNC2)n1.
What is the InChIKey of 5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine?
The InChIKey is NTTDTIIDYCGSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-8-6-11-13-9(12-8)7-3-4-10-5-7/h6-7,10H,2-5H2,1H3.
What are the key properties of 5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine?
5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine has a molecular weight of 178.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-pyrrolidin-3-yl-1,2,4-triazine is sourced from PubChem (CID 105437732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).