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

C14H23N5 — CID 79105165

IUPACN-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCNC(CC)c1ccn(Cc2ncnn2CC)c1
InChIInChI=1S/C14H23N5/c1-4-13(15-5-2)12-7-8-18(9-12)10-14-16-11-17-19(14)6-3/h7-9,11,13,15H,4-6,10H2,1-3H3
InChIKeyGDLKOQHARQGEGS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds7

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

N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79105165) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79105165
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCNC(CC)c1ccn(Cc2ncnn2CC)c1
InChIInChI=1S/C14H23N5/c1-4-13(15-5-2)12-7-8-18(9-12)10-14-16-11-17-19(14)6-3/h7-9,11,13,15H,4-6,10H2,1-3H3
InChIKeyGDLKOQHARQGEGS-UHFFFAOYSA-N
XLogP2.21
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine (CID 79105165) is N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is CCNC(CC)c1ccn(Cc2ncnn2CC)c1.
What is the InChIKey of N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is GDLKOQHARQGEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-13(15-5-2)12-7-8-18(9-12)10-14-16-11-17-19(14)6-3/h7-9,11,13,15H,4-6,10H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine?
N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79105165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).