5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine

C12H23N5 — CID 79547920

IUPAC5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCN1CCCC1
InChIInChI=1S/C12H23N5/c1-12(2,3)10-11(13)14-15-17(10)9-8-16-6-4-5-7-16/h4-9,13H2,1-3H3
InChIKeyVRXBPAKLNAJQLT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.25
Rot. Bonds3

About 5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine

5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine (PubChem CID 79547920) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine
PubChem CID79547920
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine
SMILESCC(C)(C)c1c(N)nnn1CCN1CCCC1
InChIInChI=1S/C12H23N5/c1-12(2,3)10-11(13)14-15-17(10)9-8-16-6-4-5-7-16/h4-9,13H2,1-3H3
InChIKeyVRXBPAKLNAJQLT-UHFFFAOYSA-N
XLogP1.25
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine (CID 79547920) is 5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine is CC(C)(C)c1c(N)nnn1CCN1CCCC1.
What is the InChIKey of 5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine?
The InChIKey is VRXBPAKLNAJQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-12(2,3)10-11(13)14-15-17(10)9-8-16-6-4-5-7-16/h4-9,13H2,1-3H3.
What are the key properties of 5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine?
5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine has a molecular weight of 237.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 79547920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).