5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine

C20H31N7 — CID 166400903

IUPAC5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)CCn1nc(-c2ccc(N(C)C)nc2)nc1CN1CC2CCC1C2
InChIInChI=1S/C20H31N7/c1-24(2)9-10-27-19(14-26-13-15-5-7-17(26)11-15)22-20(23-27)16-6-8-18(21-12-16)25(3)4/h6,8,12,15,17H,5,7,9-11,13-14H2,1-4H3
InChIKeyCCOJXYZPADHAJH-UHFFFAOYSA-N
MW369.52 g/mol
LogP1.95
Rot. Bonds7

About 5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine

5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 166400903) has the molecular formula C20H31N7 and a molecular weight of 369.52 g/mol. Its IUPAC name is 5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine
PubChem CID166400903
Molecular FormulaC20H31N7
Molecular Weight369.52 g/mol
Exact Mass369.26
IUPAC Name5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)CCn1nc(-c2ccc(N(C)C)nc2)nc1CN1CC2CCC1C2
InChIInChI=1S/C20H31N7/c1-24(2)9-10-27-19(14-26-13-15-5-7-17(26)11-15)22-20(23-27)16-6-8-18(21-12-16)25(3)4/h6,8,12,15,17H,5,7,9-11,13-14H2,1-4H3
InChIKeyCCOJXYZPADHAJH-UHFFFAOYSA-N
XLogP1.95
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine (CID 166400903) is 5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine is CN(C)CCn1nc(-c2ccc(N(C)C)nc2)nc1CN1CC2CCC1C2.
What is the InChIKey of 5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is CCOJXYZPADHAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7/c1-24(2)9-10-27-19(14-26-13-15-5-7-17(26)11-15)22-20(23-27)16-6-8-18(21-12-16)25(3)4/h6,8,12,15,17H,5,7,9-11,13-14H2,1-4H3.
What are the key properties of 5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine?
5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 369.52 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 166400903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).