N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

C15H20N6 — CID 66129679

IUPACN-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCC(C)n1cncc1CNCCc1nnc2ccccn12
InChIInChI=1S/C15H20N6/c1-12(2)21-11-17-10-13(21)9-16-7-6-15-19-18-14-5-3-4-8-20(14)15/h3-5,8,10-12,16H,6-7,9H2,1-2H3
InChIKeyZJHRPWOPYGDANX-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.84
Rot. Bonds6

About N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 66129679) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID66129679
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC NameN-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCC(C)n1cncc1CNCCc1nnc2ccccn12
InChIInChI=1S/C15H20N6/c1-12(2)21-11-17-10-13(21)9-16-7-6-15-19-18-14-5-3-4-8-20(14)15/h3-5,8,10-12,16H,6-7,9H2,1-2H3
InChIKeyZJHRPWOPYGDANX-UHFFFAOYSA-N
XLogP1.84
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-propylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 66134165
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 66131471
N-[(4-bromophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 27657524
N-[(3-methylphenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 28656281
N-(thiophen-2-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 28656331
4-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 43203669
2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]benzonitrile
CID 103605630
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66132309
1-(2-bromophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43203676
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
1-(4-iodophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43768195

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 66129679) is N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is CC(C)n1cncc1CNCCc1nnc2ccccn12.
What is the InChIKey of N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is ZJHRPWOPYGDANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-12(2)21-11-17-10-13(21)9-16-7-6-15-19-18-14-5-3-4-8-20(14)15/h3-5,8,10-12,16H,6-7,9H2,1-2H3.
What are the key properties of N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 284.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 66129679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).