N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine

C13H19N5 — CID 66192988

IUPACN-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCc2ccncc2)nn1
InChIInChI=1S/C13H19N5/c1-11(2)15-9-13-10-18(17-16-13)8-5-12-3-6-14-7-4-12/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3
InChIKeyQITFVBUTDPJVBH-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.41
Rot. Bonds6

About N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine

N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 66192988) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID66192988
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCc2ccncc2)nn1
InChIInChI=1S/C13H19N5/c1-11(2)15-9-13-10-18(17-16-13)8-5-12-3-6-14-7-4-12/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3
InChIKeyQITFVBUTDPJVBH-UHFFFAOYSA-N
XLogP1.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62432380
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194729
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine
CID 62427263
3-[4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81405616
N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66192005
N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine
CID 106734742
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 116628018
N,N,N'-trimethyl-N'-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]ethane-1,2-diamine
CID 63727022
N-[[1-[(4-methylsulfanylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 66194730
N,4-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline
CID 62431050
N-[[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]methyl]propan-2-amine
CID 66193179

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine (CID 66192988) is N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCc2ccncc2)nn1.
What is the InChIKey of N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is QITFVBUTDPJVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-11(2)15-9-13-10-18(17-16-13)8-5-12-3-6-14-7-4-12/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3.
What are the key properties of N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine?
N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-pyridin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66192988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).