4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole

C11H20N4 — CID 115026061

IUPAC4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole
SMILESCC(C)(C)c1cn(CC2CCNC2)nn1
InChIInChI=1S/C11H20N4/c1-11(2,3)10-8-15(14-13-10)7-9-4-5-12-6-9/h8-9,12H,4-7H2,1-3H3
InChIKeyCDBBFYYYHGJUQK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.19
Rot. Bonds2

About 4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole

4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole (PubChem CID 115026061) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole.

Molecular Properties

Compound Name4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole
PubChem CID115026061
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole
SMILESCC(C)(C)c1cn(CC2CCNC2)nn1
InChIInChI=1S/C11H20N4/c1-11(2,3)10-8-15(14-13-10)7-9-4-5-12-6-9/h8-9,12H,4-7H2,1-3H3
InChIKeyCDBBFYYYHGJUQK-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-difluoroethyl)-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 84734901
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole;hydrochloride
CID 165429520
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine
CID 121208781
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
4-iodo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 165429519
1-(pyrrolidin-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 62371096
1-[1-(azepan-3-ylmethyl)triazol-4-yl]propan-1-ol
CID 165456758
5-tert-butyl-3-(pyrrolidin-3-ylmethyl)-1,2,4-triazine
CID 105476730
2-[4-[(4-tert-butyltriazol-1-yl)methyl]piperidine-1-carbonyl]-3H-quinazolin-4-one
CID 135966433
methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate
CID 115034482
1-acetyl-N-[(1R,2R)-2-[(4-tert-butyltriazol-1-yl)methyl]cyclopentyl]azetidine-3-carboxamide
CID 154767142

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole?
The IUPAC name of 4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole (CID 115026061) is 4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole.
What is the SMILES notation for 4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole?
The canonical SMILES for 4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole is CC(C)(C)c1cn(CC2CCNC2)nn1.
What is the InChIKey of 4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole?
The InChIKey is CDBBFYYYHGJUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2,3)10-8-15(14-13-10)7-9-4-5-12-6-9/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole?
4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole has a molecular weight of 208.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(pyrrolidin-3-ylmethyl)triazole is sourced from PubChem (CID 115026061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).