(2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide

C15H27N5O2 — CID 97226202

IUPAC(2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide
SMILESCOCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27N5O2/c1-10(14(21)18-15(2,3)4)16-11-7-6-8-20-13(11)17-12(19-20)9-22-5/h10-11,16H,6-9H2,1-5H3,(H,18,21)/t10-,11-/m0/s1
InChIKeyCSJHBVAZYSTOKO-QWRGUYRKSA-N
MW309.41 g/mol
LogP1.15
Rot. Bonds5

About (2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide

(2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide (PubChem CID 97226202) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide
PubChem CID97226202
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name(2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide
SMILESCOCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H27N5O2/c1-10(14(21)18-15(2,3)4)16-11-7-6-8-20-13(11)17-12(19-20)9-22-5/h10-11,16H,6-9H2,1-5H3,(H,18,21)/t10-,11-/m0/s1
InChIKeyCSJHBVAZYSTOKO-QWRGUYRKSA-N
XLogP1.15
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide (CID 97226202) is (2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide is COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide?
The InChIKey is CSJHBVAZYSTOKO-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-10(14(21)18-15(2,3)4)16-11-7-6-8-20-13(11)17-12(19-20)9-22-5/h10-11,16H,6-9H2,1-5H3,(H,18,21)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide?
(2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide has a molecular weight of 309.41 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[[(8S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]propanamide is sourced from PubChem (CID 97226202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).