1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C10H12ClN5 — CID 105159465

IUPAC1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1ncnc1CC(N)c1ccncc1Cl
InChIInChI=1S/C10H12ClN5/c1-16-10(14-6-15-16)4-9(12)7-2-3-13-5-8(7)11/h2-3,5-6,9H,4,12H2,1H3
InChIKeyANHWFRJUTZQLIX-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.11
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 105159465) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID105159465
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCn1ncnc1CC(N)c1ccncc1Cl
InChIInChI=1S/C10H12ClN5/c1-16-10(14-6-15-16)4-9(12)7-2-3-13-5-8(7)11/h2-3,5-6,9H,4,12H2,1H3
InChIKeyANHWFRJUTZQLIX-UHFFFAOYSA-N
XLogP1.11
TPSA69.62 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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167678
1-(2-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159432
1-(2-chloro-3-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997772
1-(3-chlorothiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997878
1-(3-chloro-4-pyridinyl)pentan-1-amine
CID 55270416
(1R)-1-(3-chloro-4-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218336
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 102803970
1-(3-chloro-4-pyridinyl)-2-(3,4-dimethylphenyl)ethanamine
CID 105109629
N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105160466
1-(4-tert-butylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997926
2-(3-bromothiophen-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105139491
1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 103443585

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 105159465) is 1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is Cn1ncnc1CC(N)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is ANHWFRJUTZQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-16-10(14-6-15-16)4-9(12)7-2-3-13-5-8(7)11/h2-3,5-6,9H,4,12H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 237.69 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 105159465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).