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

C14H23N5 — CID 79103070

IUPACN-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1Cc1ncnn1CC
InChIInChI=1S/C14H23N5/c1-4-8-15-12(3)13-7-6-9-18(13)10-14-16-11-17-19(14)5-2/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3
InChIKeyCRXNOTADGRNSIV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds7

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

N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine (PubChem CID 79103070) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
PubChem CID79103070
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1Cc1ncnn1CC
InChIInChI=1S/C14H23N5/c1-4-8-15-12(3)13-7-6-9-18(13)10-14-16-11-17-19(14)5-2/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3
InChIKeyCRXNOTADGRNSIV-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

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

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Related Compounds

N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine
CID 79102342
N-[1-(1-decylpyrrol-2-yl)ethyl]propan-1-amine
CID 79108703
N-[1-[1-(2-methylpentyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101774
N-[1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79101579
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405884
N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79102768
N-[1-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 116617073
N-[1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 82892118
1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102946
N-[1-[1-(3-phenylpropyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79101978
N-butan-2-yl-2-[2-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79101776
N-[1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 104792966

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine (CID 79103070) is N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1cccn1Cc1ncnn1CC.
What is the InChIKey of N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The InChIKey is CRXNOTADGRNSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-8-15-12(3)13-7-6-9-18(13)10-14-16-11-17-19(14)5-2/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3.
What are the key properties of N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
N-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]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-[1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79103070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).