1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

C12H19N5 — CID 106281612

IUPAC1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNC(C)c2ncn[nH]2)c(C)n1C
InChIInChI=1S/C12H19N5/c1-8-5-11(10(3)17(8)4)6-13-9(2)12-14-7-15-16-12/h5,7,9,13H,6H2,1-4H3,(H,14,15,16)
InChIKeyFBQDVOGGDUMYQY-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.61
Rot. Bonds4

About 1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (PubChem CID 106281612) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
PubChem CID106281612
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNC(C)c2ncn[nH]2)c(C)n1C
InChIInChI=1S/C12H19N5/c1-8-5-11(10(3)17(8)4)6-13-9(2)12-14-7-15-16-12/h5,7,9,13H,6H2,1-4H3,(H,14,15,16)
InChIKeyFBQDVOGGDUMYQY-UHFFFAOYSA-N
XLogP1.61
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282301
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281876
N-[(4-methylphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103952879
N-[(2-bromophenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103886572
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282202
1-(2,4-dimethylphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62472782
1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62472790
4-bromo-2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenol
CID 114167887
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282271
N-[(2,4-dimethoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103886550
N-[(5-methylfuran-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281571
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281929

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (CID 106281612) is 1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is Cc1cc(CNC(C)c2ncn[nH]2)c(C)n1C.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is FBQDVOGGDUMYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8-5-11(10(3)17(8)4)6-13-9(2)12-14-7-15-16-12/h5,7,9,13H,6H2,1-4H3,(H,14,15,16).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 233.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 106281612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).