6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine

C16H16ClN5 — CID 167421238

IUPAC6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine
SMILESCN(C)c1cc(-c2ccccc2-c2nncn2C)cc(Cl)n1
InChIInChI=1S/C16H16ClN5/c1-21(2)15-9-11(8-14(17)19-15)12-6-4-5-7-13(12)16-20-18-10-22(16)3/h4-10H,1-3H3
InChIKeyODNPOHZBOMSEOM-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.26
Rot. Bonds3

About 6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine

6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine (PubChem CID 167421238) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine
PubChem CID167421238
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine
SMILESCN(C)c1cc(-c2ccccc2-c2nncn2C)cc(Cl)n1
InChIInChI=1S/C16H16ClN5/c1-21(2)15-9-11(8-14(17)19-15)12-6-4-5-7-13(12)16-20-18-10-22(16)3/h4-10H,1-3H3
InChIKeyODNPOHZBOMSEOM-UHFFFAOYSA-N
XLogP3.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzaldehyde
CID 166557395
3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
CID 79002375
3-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 115395215
2-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine
CID 166556278
3-[2-(but-3-ynylamino)-6-chloro-4-pyridinyl]-4-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
CID 171820453
4-chloro-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62693888
6-chloro-2-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 169253829
2-[3-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole
CID 166556821
N-[6-(ethylamino)-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-2-methylidenebut-3-enamide
CID 165411345
5-chloro-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 47062898
6-[6-chloro-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 172608593
2-[6-chloro-4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]-2-pyridinyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165410967

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine (CID 167421238) is 6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine is CN(C)c1cc(-c2ccccc2-c2nncn2C)cc(Cl)n1.
What is the InChIKey of 6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine?
The InChIKey is ODNPOHZBOMSEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c1-21(2)15-9-11(8-14(17)19-15)12-6-4-5-7-13(12)16-20-18-10-22(16)3/h4-10H,1-3H3.
What are the key properties of 6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine?
6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine has a molecular weight of 313.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 167421238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).