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

C16H28N4O — CID 124777137

IUPAC(8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCCCO[C@@H]1C[C@@H](N[C@H]2CCCn3ncnc32)C1(C)C
InChIInChI=1S/C16H28N4O/c1-4-5-9-21-14-10-13(16(14,2)3)19-12-7-6-8-20-15(12)17-11-18-20/h11-14,19H,4-10H2,1-3H3/t12-,13+,14+/m0/s1
InChIKeyKUPGEIJYBZNBGD-BFHYXJOUSA-N
MW292.43 g/mol
LogP2.69
Rot. Bonds6

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

(8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 124777137) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name(8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID124777137
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCCCO[C@@H]1C[C@@H](N[C@H]2CCCn3ncnc32)C1(C)C
InChIInChI=1S/C16H28N4O/c1-4-5-9-21-14-10-13(16(14,2)3)19-12-7-6-8-20-15(12)17-11-18-20/h11-14,19H,4-10H2,1-3H3/t12-,13+,14+/m0/s1
InChIKeyKUPGEIJYBZNBGD-BFHYXJOUSA-N
XLogP2.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

(3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one
CID 129423806
(3S)-3-[[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one
CID 129423805
(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
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 115876715
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
2,2,3,3-tetramethyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)cyclopropane-1-carboxamide
CID 127433298
4-[(3-butoxy-2,2-dimethylcyclobutyl)amino]cyclohexane-1-carboxylic acid
CID 122031836
(3R)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylsulfonylpyrrolidine-1-carboxamide
CID 124873524
(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol
CID 103922183
8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine
CID 119037718
3-butoxy-N-(2-chloroprop-2-enyl)-2,2-dimethylcyclobutan-1-amine
CID 115906348
1-(3-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanesulfonamide
CID 138009395

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of (8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 124777137) is (8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for (8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for (8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CCCCO[C@@H]1C[C@@H](N[C@H]2CCCn3ncnc32)C1(C)C.
What is the InChIKey of (8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is KUPGEIJYBZNBGD-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-5-9-21-14-10-13(16(14,2)3)19-12-7-6-8-20-15(12)17-11-18-20/h11-14,19H,4-10H2,1-3H3/t12-,13+,14+/m0/s1.
What are the key properties of (8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
(8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 292.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 124777137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).