1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine

C12H19N5 — CID 79105314

IUPAC1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(Cc2ncnn2CC)c1
InChIInChI=1S/C12H19N5/c1-3-11(13)10-5-6-16(7-10)8-12-14-9-15-17(12)4-2/h5-7,9,11H,3-4,8,13H2,1-2H3
InChIKeyCEGSOJMBNBEXTK-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.56
Rot. Bonds5

About 1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine

1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79105314) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79105314
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCC(N)c1ccn(Cc2ncnn2CC)c1
InChIInChI=1S/C12H19N5/c1-3-11(13)10-5-6-16(7-10)8-12-14-9-15-17(12)4-2/h5-7,9,11H,3-4,8,13H2,1-2H3
InChIKeyCEGSOJMBNBEXTK-UHFFFAOYSA-N
XLogP1.56
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of 1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (CID 79105314) is 1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is CCC(N)c1ccn(Cc2ncnn2CC)c1.
What is the InChIKey of 1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is CEGSOJMBNBEXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-11(13)10-5-6-16(7-10)8-12-14-9-15-17(12)4-2/h5-7,9,11H,3-4,8,13H2,1-2H3.
What are the key properties of 1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79105314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).