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

C13H18ClN5 — CID 103444424

IUPACN-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)c1ncccc1Cl
InChIInChI=1S/C13H18ClN5/c1-3-8-19-11(9-17-18-19)13(15-4-2)12-10(14)6-5-7-16-12/h5-7,9,13,15H,3-4,8H2,1-2H3
InChIKeyKBFZFECQPDVOHB-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.44
Rot. Bonds6

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

N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine (PubChem CID 103444424) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
PubChem CID103444424
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC NameN-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
SMILESCCCn1nncc1C(NCC)c1ncccc1Cl
InChIInChI=1S/C13H18ClN5/c1-3-8-19-11(9-17-18-19)13(15-4-2)12-10(14)6-5-7-16-12/h5-7,9,13,15H,3-4,8H2,1-2H3
InChIKeyKBFZFECQPDVOHB-UHFFFAOYSA-N
XLogP2.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.44
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-[(5-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688667
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine
CID 114687409
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444702
N-[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687035
N-[(5-chloro-2-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038903
N-[(6-methyl-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687716
N-[(3-propyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923832
N-[(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038920
N-[(3,4-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038808
N-[(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038850
N-[(3-bromo-2-fluorophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 107953661

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine (CID 103444424) is N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine is CCCn1nncc1C(NCC)c1ncccc1Cl.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine?
The InChIKey is KBFZFECQPDVOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-3-8-19-11(9-17-18-19)13(15-4-2)12-10(14)6-5-7-16-12/h5-7,9,13,15H,3-4,8H2,1-2H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine?
N-[(3-chloro-2-pyridinyl)-(3-propyltriazol-4-yl)methyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.44, 6 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-propyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 103444424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).