N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine

C13H19N5 — CID 80635625

IUPACN-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(-n2nc(C)nc2C)c(C)c1
InChIInChI=1S/C13H19N5/c1-5-14-7-12-6-9(2)13(15-8-12)18-11(4)16-10(3)17-18/h6,8,14H,5,7H2,1-4H3
InChIKeyWEWZGHGSTDQEJD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.70
Rot. Bonds4

About N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine

N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 80635625) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID80635625
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnc(-n2nc(C)nc2C)c(C)c1
InChIInChI=1S/C13H19N5/c1-5-14-7-12-6-9(2)13(15-8-12)18-11(4)16-10(3)17-18/h6,8,14H,5,7H2,1-4H3
InChIKeyWEWZGHGSTDQEJD-UHFFFAOYSA-N
XLogP1.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine (CID 80635625) is N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cnc(-n2nc(C)nc2C)c(C)c1.
What is the InChIKey of N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is WEWZGHGSTDQEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-5-14-7-12-6-9(2)13(15-8-12)18-11(4)16-10(3)17-18/h6,8,14H,5,7H2,1-4H3.
What are the key properties of N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine?
N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80635625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).