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

C18H31N5O2 — CID 86784788

IUPACtert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]ethyl]pyrrolidine-1-carboxylate
SMILESCc1nc2n(n1)CCCC2NC(C)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H31N5O2/c1-12(15-9-7-10-22(15)17(24)25-18(3,4)5)19-14-8-6-11-23-16(14)20-13(2)21-23/h12,14-15,19H,6-11H2,1-5H3
InChIKeyDSKPNXWXOUYROV-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.80
Rot. Bonds3

About tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-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-8-yl)amino]ethyl]pyrrolidine-1-carboxylate (PubChem CID 86784788) 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-8-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-8-yl)amino]ethyl]pyrrolidine-1-carboxylate
PubChem CID86784788
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-8-yl)amino]ethyl]pyrrolidine-1-carboxylate
SMILESCc1nc2n(n1)CCCC2NC(C)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H31N5O2/c1-12(15-9-7-10-22(15)17(24)25-18(3,4)5)19-14-8-6-11-23-16(14)20-13(2)21-23/h12,14-15,19H,6-11H2,1-5H3
InChIKeyDSKPNXWXOUYROV-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-8-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-8-yl)amino]ethyl]pyrrolidine-1-carboxylate (CID 86784788) is tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-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-8-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-8-yl)amino]ethyl]pyrrolidine-1-carboxylate is Cc1nc2n(n1)CCCC2NC(C)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[1-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is DSKPNXWXOUYROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-12(15-9-7-10-22(15)17(24)25-18(3,4)5)19-14-8-6-11-23-16(14)20-13(2)21-23/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-8-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-8-yl)amino]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 349.48 g/mol, XLogP of 2.80, 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-8-yl)amino]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 86784788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).