6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C15H15ClN4 — CID 106900179

IUPAC6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCc1ccc(CNc2nc3ccc(Cl)cn3n2)cc1
InChIInChI=1S/C15H15ClN4/c1-2-11-3-5-12(6-4-11)9-17-15-18-14-8-7-13(16)10-20(14)19-15/h3-8,10H,2,9H2,1H3,(H,17,19)
InChIKeyHXWIPVSCGUJPKZ-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.56
Rot. Bonds4

About 6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106900179) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106900179
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCc1ccc(CNc2nc3ccc(Cl)cn3n2)cc1
InChIInChI=1S/C15H15ClN4/c1-2-11-3-5-12(6-4-11)9-17-15-18-14-8-7-13(16)10-20(14)19-15/h3-8,10H,2,9H2,1H3,(H,17,19)
InChIKeyHXWIPVSCGUJPKZ-UHFFFAOYSA-N
XLogP3.56
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106048230
6-chloro-N-[(4-methyl-3-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114956565
4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 114150223
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pentan-2-ol
CID 114148456
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol
CID 114152105
6-chloro-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117130665
6-chloro-N-(4,4,4-trifluorobutan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114131249
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2-hydroxy-2-methylpropyl)urea
CID 86791264
6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 113489449
6-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106282899
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
4-[([1,2,4]triazolo[1,5-a]pyridin-2-ylamino)methyl]phenol
CID 114332619

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106900179) is 6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCc1ccc(CNc2nc3ccc(Cl)cn3n2)cc1.
What is the InChIKey of 6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HXWIPVSCGUJPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-2-11-3-5-12(6-4-11)9-17-15-18-14-8-7-13(16)10-20(14)19-15/h3-8,10H,2,9H2,1H3,(H,17,19).
What are the key properties of 6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 286.77 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106900179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).