N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C16H26N4 — CID 86799432

IUPACN-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCC1=CCCC(C)C1CNC1CCCn2nc(C)nc21
InChIInChI=1S/C16H26N4/c1-11-6-4-7-12(2)14(11)10-17-15-8-5-9-20-16(15)18-13(3)19-20/h6,12,14-15,17H,4-5,7-10H2,1-3H3
InChIKeyMEKGLWAGQJWWNX-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.00
Rot. Bonds3

About N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 86799432) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID86799432
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCC1=CCCC(C)C1CNC1CCCn2nc(C)nc21
InChIInChI=1S/C16H26N4/c1-11-6-4-7-12(2)14(11)10-17-15-8-5-9-20-16(15)18-13(3)19-20/h6,12,14-15,17H,4-5,7-10H2,1-3H3
InChIKeyMEKGLWAGQJWWNX-UHFFFAOYSA-N
XLogP3.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 86799432) is N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CC1=CCCC(C)C1CNC1CCCn2nc(C)nc21.
What is the InChIKey of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is MEKGLWAGQJWWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-11-6-4-7-12(2)14(11)10-17-15-8-5-9-20-16(15)18-13(3)19-20/h6,12,14-15,17H,4-5,7-10H2,1-3H3.
What are the key properties of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 274.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 86799432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).