tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate

C18H31N5O2 — CID 86784345

IUPACtert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate
SMILESCc1nc2n(n1)CC(NC(C)C1CCCN1C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H31N5O2/c1-12(15-7-6-10-22(15)17(24)25-18(3,4)5)19-14-8-9-16-20-13(2)21-23(16)11-14/h12,14-15,19H,6-11H2,1-5H3
InChIKeyFEZJUXGEYHZMJV-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.28
Rot. Bonds3

About tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate

tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate (PubChem CID 86784345) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate
PubChem CID86784345
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Nametert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate
SMILESCc1nc2n(n1)CC(NC(C)C1CCCN1C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C18H31N5O2/c1-12(15-7-6-10-22(15)17(24)25-18(3,4)5)19-14-8-9-16-20-13(2)21-23(16)11-14/h12,14-15,19H,6-11H2,1-5H3
InChIKeyFEZJUXGEYHZMJV-UHFFFAOYSA-N
XLogP2.28
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate (CID 86784345) is tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate is Cc1nc2n(n1)CC(NC(C)C1CCCN1C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is FEZJUXGEYHZMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-12(15-7-6-10-22(15)17(24)25-18(3,4)5)19-14-8-9-16-20-13(2)21-23(16)11-14/h12,14-15,19H,6-11H2,1-5H3.
What are the key properties of tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 349.48 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 86784345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).