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

C11H14ClN5 — CID 105184574

IUPACN-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccncc1Cl)c1cnnn1C
InChIInChI=1S/C11H14ClN5/c1-3-14-11(10-7-15-16-17(10)2)8-4-5-13-6-9(8)12/h4-7,11,14H,3H2,1-2H3
InChIKeyBZTUQGAFPMYUOD-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.56
Rot. Bonds4

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

N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 105184574) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID105184574
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC NameN-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccncc1Cl)c1cnnn1C
InChIInChI=1S/C11H14ClN5/c1-3-14-11(10-7-15-16-17(10)2)8-4-5-13-6-9(8)12/h4-7,11,14H,3H2,1-2H3
InChIKeyBZTUQGAFPMYUOD-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-methyltriazol-4-yl)methyl]ethanamine
CID 103444423
N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
CID 105140466
N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 102804517
N-[(2-bromo-5-methylphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043552
N-[(5-bromofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043781
N-[(3-chloro-4-pyridinyl)-isoquinolin-4-ylmethyl]ethanamine
CID 105147392
[(3-methyltriazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196426
N-[(3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 105043354
N-[(2,6-dimethoxyphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043570
N-[1-benzothiophen-3-yl-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043811
N-[(3-methyltriazol-4-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 114687378
N-[(3-methyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105184470

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine (CID 105184574) is N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine is CCNC(c1ccncc1Cl)c1cnnn1C.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is BZTUQGAFPMYUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-3-14-11(10-7-15-16-17(10)2)8-4-5-13-6-9(8)12/h4-7,11,14H,3H2,1-2H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine?
N-[(3-chloro-4-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-4-pyridinyl)-(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105184574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).