1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine

C14H19N5 — CID 80708065

IUPAC1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2nnc3n2CCC3)nc1
InChIInChI=1S/C14H19N5/c1-10-5-6-12(16-8-10)9-15-11(2)14-18-17-13-4-3-7-19(13)14/h5-6,8,11,15H,3-4,7,9H2,1-2H3
InChIKeyRMJBKQXJAYNMLR-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.78
Rot. Bonds4

About 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 80708065) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID80708065
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2nnc3n2CCC3)nc1
InChIInChI=1S/C14H19N5/c1-10-5-6-12(16-8-10)9-15-11(2)14-18-17-13-4-3-7-19(13)14/h5-6,8,11,15H,3-4,7,9H2,1-2H3
InChIKeyRMJBKQXJAYNMLR-UHFFFAOYSA-N
XLogP1.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 2501092
2-(3-methyl-1H-1,2,4-triazol-5-yl)pyridine
CID 12787364
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 43839983
3-[6-(isopentylamino)-3-pyridyl]-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-b]pyridazin-6-amine
CID 53358184
US10273222, Example 62
CID 90407594
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-pyrrolidin-1-yl-methyl]-pyridine
CID 644790
Benzyl-{[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-pyridin-2-yl-methyl}-ethyl-amine
CID 651242
4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-3,5-dimethyl-1,2,4-triazole
CID 6887199
N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-N-(3-pyridinylmethylene)amine
CID 6887464
2-[1-(4-fluorobenzyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]-N,6-dimethylpyrimidin-4-amine
CID 56753695
3-(2,5-Dimethyl-1-phenylpyrrol-3-yl)-5,6,7,8,9,10-hexahydro-[1,2,4]triazolo[4,3-a]azocine
CID 71307853
3-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 71307873

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine (CID 80708065) is 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine is Cc1ccc(CNC(C)c2nnc3n2CCC3)nc1.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is RMJBKQXJAYNMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10-5-6-12(16-8-10)9-15-11(2)14-18-17-13-4-3-7-19(13)14/h5-6,8,11,15H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine?
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 257.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 80708065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).