(1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine

C13H19N5O — CID 164641256

IUPAC(1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine
SMILESCCn1ncc(CN[C@@H](C)c2ccnc(OC)c2)n1
InChIInChI=1S/C13H19N5O/c1-4-18-16-9-12(17-18)8-15-10(2)11-5-6-14-13(7-11)19-3/h5-7,9-10,15H,4,8H2,1-3H3/t10-/m0/s1
InChIKeyIYXCMSGDSPTNHN-JTQLQIEISA-N
MW261.33 g/mol
LogP1.55
Rot. Bonds6

About (1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine

(1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine (PubChem CID 164641256) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is (1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine
PubChem CID164641256
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name(1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine
SMILESCCn1ncc(CN[C@@H](C)c2ccnc(OC)c2)n1
InChIInChI=1S/C13H19N5O/c1-4-18-16-9-12(17-18)8-15-10(2)11-5-6-14-13(7-11)19-3/h5-7,9-10,15H,4,8H2,1-3H3/t10-/m0/s1
InChIKeyIYXCMSGDSPTNHN-JTQLQIEISA-N
XLogP1.55
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine?
The IUPAC name of (1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine (CID 164641256) is (1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine?
The canonical SMILES for (1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine is CCn1ncc(CN[C@@H](C)c2ccnc(OC)c2)n1.
What is the InChIKey of (1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine?
The InChIKey is IYXCMSGDSPTNHN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-18-16-9-12(17-18)8-15-10(2)11-5-6-14-13(7-11)19-3/h5-7,9-10,15H,4,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine?
(1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethyltriazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)ethanamine is sourced from PubChem (CID 164641256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).