(8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C17H30N4O — CID 124777150

IUPAC(8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCO[C@@H]1C[C@H](N[C@H]2CCCn3nc(C(C)C)nc32)C1(C)C
InChIInChI=1S/C17H30N4O/c1-6-22-14-10-13(17(14,4)5)18-12-8-7-9-21-16(12)19-15(20-21)11(2)3/h11-14,18H,6-10H2,1-5H3/t12-,13-,14+/m0/s1
InChIKeyLMLJOYQFPRFQSL-MELADBBJSA-N
MW306.45 g/mol
LogP3.03
Rot. Bonds5

About (8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

(8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 124777150) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is (8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name(8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID124777150
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name(8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCO[C@@H]1C[C@H](N[C@H]2CCCn3nc(C(C)C)nc32)C1(C)C
InChIInChI=1S/C17H30N4O/c1-6-22-14-10-13(17(14,4)5)18-12-8-7-9-21-16(12)19-15(20-21)11(2)3/h11-14,18H,6-10H2,1-5H3/t12-,13-,14+/m0/s1
InChIKeyLMLJOYQFPRFQSL-MELADBBJSA-N
XLogP3.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of (8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 124777150) is (8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for (8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for (8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CCO[C@@H]1C[C@H](N[C@H]2CCCn3nc(C(C)C)nc32)C1(C)C.
What is the InChIKey of (8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is LMLJOYQFPRFQSL-MELADBBJSA-N. The full InChI is InChI=1S/C17H30N4O/c1-6-22-14-10-13(17(14,4)5)18-12-8-7-9-21-16(12)19-15(20-21)11(2)3/h11-14,18H,6-10H2,1-5H3/t12-,13-,14+/m0/s1.
What are the key properties of (8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
(8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 306.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 124777150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).