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

C17H30N4O — CID 75516212

IUPACN-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCCCOC1CC(NC2CCCn3nc(C)nc32)C1(C)C
InChIInChI=1S/C17H30N4O/c1-5-6-10-22-15-11-14(17(15,3)4)19-13-8-7-9-21-16(13)18-12(2)20-21/h13-15,19H,5-11H2,1-4H3
InChIKeyMAHBWFURQZQBCM-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.99
Rot. Bonds6

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

N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 75516212) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound NameN-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID75516212
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCCCOC1CC(NC2CCCn3nc(C)nc32)C1(C)C
InChIInChI=1S/C17H30N4O/c1-5-6-10-22-15-11-14(17(15,3)4)19-13-8-7-9-21-16(13)18-12(2)20-21/h13-15,19H,5-11H2,1-4H3
InChIKeyMAHBWFURQZQBCM-UHFFFAOYSA-N
XLogP2.99
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 75516212) is N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CCCCOC1CC(NC2CCCn3nc(C)nc32)C1(C)C.
What is the InChIKey of N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is MAHBWFURQZQBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-5-6-10-22-15-11-14(17(15,3)4)19-13-8-7-9-21-16(13)18-12(2)20-21/h13-15,19H,5-11H2,1-4H3.
What are the key properties of N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-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 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxy-2,2-dimethylcyclobutyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 75516212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).