[4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine

C13H11ClN4 — CID 82343032

IUPAC[4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnc3cccc(Cl)n23)cc1
InChIInChI=1S/C13H11ClN4/c14-11-2-1-3-12-16-17-13(18(11)12)10-6-4-9(8-15)5-7-10/h1-7H,8,15H2
InChIKeyMSCNOFZUMZFLKP-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.51
Rot. Bonds2

About [4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine

[4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine (PubChem CID 82343032) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is [4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine
PubChem CID82343032
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name[4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnc3cccc(Cl)n23)cc1
InChIInChI=1S/C13H11ClN4/c14-11-2-1-3-12-16-17-13(18(11)12)10-6-4-9(8-15)5-7-10/h1-7H,8,15H2
InChIKeyMSCNOFZUMZFLKP-UHFFFAOYSA-N
XLogP2.51
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82342843
[5-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82342842
5-chloro-3-(5-methylfuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117141885
(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257045
(3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine
CID 117140840
[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)phenyl]methanamine
CID 82166732
[3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
CID 117140833
4-[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 137006529
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
[4-[1-(3-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228168
[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228170
3-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117142184

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine?
The IUPAC name of [4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine (CID 82343032) is [4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine is NCc1ccc(-c2nnc3cccc(Cl)n23)cc1.
What is the InChIKey of [4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine?
The InChIKey is MSCNOFZUMZFLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-11-2-1-3-12-16-17-13(18(11)12)10-6-4-9(8-15)5-7-10/h1-7H,8,15H2.
What are the key properties of [4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine?
[4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine has a molecular weight of 258.71 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]methanamine is sourced from PubChem (CID 82343032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).