5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine

C10H16N4 — CID 105446545

IUPAC5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine
SMILESCCc1cnnc(CC2CCCN2)n1
InChIInChI=1S/C10H16N4/c1-2-8-7-12-14-10(13-8)6-9-4-3-5-11-9/h7,9,11H,2-6H2,1H3
InChIKeyMBMLTSRHKIFYPI-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.73
Rot. Bonds3

About 5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine

5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine (PubChem CID 105446545) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine.

Molecular Properties

Compound Name5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine
PubChem CID105446545
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine
SMILESCCc1cnnc(CC2CCCN2)n1
InChIInChI=1S/C10H16N4/c1-2-8-7-12-14-10(13-8)6-9-4-3-5-11-9/h7,9,11H,2-6H2,1H3
InChIKeyMBMLTSRHKIFYPI-UHFFFAOYSA-N
XLogP0.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-(piperidin-4-ylmethyl)-1,2,4-triazine
CID 105459668
5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 82237690
5-(pyrrolidin-2-ylmethyl)-2H-tetrazole
CID 53421238
4-ethyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62542496
5-ethoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231619
3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
CID 102819892
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 115080506
5-[(2-methylpropan-2-yl)oxy]-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 117231618
1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
CID 82600329
4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62694265
5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine?
The IUPAC name of 5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine (CID 105446545) is 5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine.
What is the SMILES notation for 5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine?
The canonical SMILES for 5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine is CCc1cnnc(CC2CCCN2)n1.
What is the InChIKey of 5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine?
The InChIKey is MBMLTSRHKIFYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-8-7-12-14-10(13-8)6-9-4-3-5-11-9/h7,9,11H,2-6H2,1H3.
What are the key properties of 5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine?
5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine has a molecular weight of 192.27 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazine is sourced from PubChem (CID 105446545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).