N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine

C11H14ClN5 — CID 103444423

IUPACN-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ncccc1Cl)c1cnnn1C
InChIInChI=1S/C11H14ClN5/c1-3-13-11(9-7-15-16-17(9)2)10-8(12)5-4-6-14-10/h4-7,11,13H,3H2,1-2H3
InChIKeySJVSLDCRBYLSCQ-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.56
Rot. Bonds4

About N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine

N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 103444423) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID103444423
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC NameN-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ncccc1Cl)c1cnnn1C
InChIInChI=1S/C11H14ClN5/c1-3-13-11(9-7-15-16-17(9)2)10-8(12)5-4-6-14-10/h4-7,11,13H,3H2,1-2H3
InChIKeySJVSLDCRBYLSCQ-UHFFFAOYSA-N
XLogP1.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 103444424
N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105184574
(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 103443748
N-[(3-chloro-2-pyridinyl)-(2-ethoxyphenyl)methyl]ethanamine
CID 103444391
N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 103444478
[(3-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105209169
N-[(3-chlorophenyl)-(3-chloro-2-pyridinyl)methyl]ethanamine
CID 103444575
N-[(3-chloro-2-pyridinyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 103444649
N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043570
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103444609
N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 102804517
N-[(5-bromofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043781

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine (CID 103444423) is N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine is CCNC(c1ncccc1Cl)c1cnnn1C.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is SJVSLDCRBYLSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-3-13-11(9-7-15-16-17(9)2)10-8(12)5-4-6-14-10/h4-7,11,13H,3H2,1-2H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 251.72 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 103444423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).