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

C10H12ClN5 — CID 63586359

IUPAC6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1cccc(Cl)n1)c1nncn1C
InChIInChI=1S/C10H12ClN5/c1-7(10-15-12-6-16(10)2)13-9-5-3-4-8(11)14-9/h3-7H,1-2H3,(H,13,14)
InChIKeyQTHWOYUFBKFFNU-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.04
Rot. Bonds3

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

6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 63586359) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
PubChem CID63586359
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1cccc(Cl)n1)c1nncn1C
InChIInChI=1S/C10H12ClN5/c1-7(10-15-12-6-16(10)2)13-9-5-3-4-8(11)14-9/h3-7H,1-2H3,(H,13,14)
InChIKeyQTHWOYUFBKFFNU-UHFFFAOYSA-N
XLogP2.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (CID 63586359) is 6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is CC(Nc1cccc(Cl)n1)c1nncn1C.
What is the InChIKey of 6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is QTHWOYUFBKFFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-7(10-15-12-6-16(10)2)13-9-5-3-4-8(11)14-9/h3-7H,1-2H3,(H,13,14).
What are the key properties of 6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 63586359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).