N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine

C12H17N5 — CID 43703199

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(NC(C)c1nncn1C)c1ccncc1
InChIInChI=1S/C12H17N5/c1-9(11-4-6-13-7-5-11)15-10(2)12-16-14-8-17(12)3/h4-10,15H,1-3H3
InChIKeyXLHWVQWFCLJLAF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.62
Rot. Bonds4

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 43703199) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID43703199
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(NC(C)c1nncn1C)c1ccncc1
InChIInChI=1S/C12H17N5/c1-9(11-4-6-13-7-5-11)15-10(2)12-16-14-8-17(12)3/h4-10,15H,1-3H3
InChIKeyXLHWVQWFCLJLAF-UHFFFAOYSA-N
XLogP1.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43703252
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62091749
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-phenylbutan-1-amine
CID 43702946
1-(3-methylthiophen-2-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63992848
1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea
CID 75372959
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119574
2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
CID 43783872
1-(1-methylbenzimidazol-2-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43703094
methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 62118650
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cycloheptanamine
CID 43703015

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine (CID 43703199) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine is CC(NC(C)c1nncn1C)c1ccncc1.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is XLHWVQWFCLJLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(11-4-6-13-7-5-11)15-10(2)12-16-14-8-17(12)3/h4-10,15H,1-3H3.
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine has a molecular weight of 231.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 43703199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).