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

C12H20N4 — CID 105476730

IUPAC5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine
SMILESCC(C)(C)c1cnnc(CC2CCNC2)n1
InChIInChI=1S/C12H20N4/c1-12(2,3)10-8-14-16-11(15-10)6-9-4-5-13-7-9/h8-9,13H,4-7H2,1-3H3
InChIKeyVOOMOQUTEIFWJR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.32
Rot. Bonds2

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

5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine (PubChem CID 105476730) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine.

Molecular Properties

Compound Name5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine
PubChem CID105476730
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine
SMILESCC(C)(C)c1cnnc(CC2CCNC2)n1
InChIInChI=1S/C12H20N4/c1-12(2,3)10-8-14-16-11(15-10)6-9-4-5-13-7-9/h8-9,13H,4-7H2,1-3H3
InChIKeyVOOMOQUTEIFWJR-UHFFFAOYSA-N
XLogP1.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.32
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
4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115026061
5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride
CID 139490791
4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 84792291
4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 157238992
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
4-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-triazole
CID 97011669
5-methyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115013206
2-methyl-6-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135525
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
5-pyridin-4-yl-3-[[(3R)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96892691

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine?
The IUPAC name of 5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine (CID 105476730) is 5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine.
What is the SMILES notation for 5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine?
The canonical SMILES for 5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine is CC(C)(C)c1cnnc(CC2CCNC2)n1.
What is the InChIKey of 5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine?
The InChIKey is VOOMOQUTEIFWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-12(2,3)10-8-14-16-11(15-10)6-9-4-5-13-7-9/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine?
5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine has a molecular weight of 220.32 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine is sourced from PubChem (CID 105476730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).