tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate

C17H29N5O2 — CID 91660049

IUPACtert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate
SMILESCc1nc2n(n1)CC(NC1CCCN(C(=O)OC(C)(C)C)C1)CC2
InChIInChI=1S/C17H29N5O2/c1-12-18-15-8-7-14(11-22(15)20-12)19-13-6-5-9-21(10-13)16(23)24-17(2,3)4/h13-14,19H,5-11H2,1-4H3
InChIKeyYBEQLLDJXKEKPM-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.89
Rot. Bonds2

About tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate

tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate (PubChem CID 91660049) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate
PubChem CID91660049
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Nametert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate
SMILESCc1nc2n(n1)CC(NC1CCCN(C(=O)OC(C)(C)C)C1)CC2
InChIInChI=1S/C17H29N5O2/c1-12-18-15-8-7-14(11-22(15)20-12)19-13-6-5-9-21(10-13)16(23)24-17(2,3)4/h13-14,19H,5-11H2,1-4H3
InChIKeyYBEQLLDJXKEKPM-UHFFFAOYSA-N
XLogP1.89
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate (CID 91660049) is tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate is Cc1nc2n(n1)CC(NC1CCCN(C(=O)OC(C)(C)C)C1)CC2.
What is the InChIKey of tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate?
The InChIKey is YBEQLLDJXKEKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-12-18-15-8-7-14(11-22(15)20-12)19-13-6-5-9-21(10-13)16(23)24-17(2,3)4/h13-14,19H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate?
tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 91660049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).