1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride

C15H23ClN8O2 — CID 154897288

IUPAC1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride
SMILESCl.Cn1ncc(N2CCC(CNC(=O)c3cn(CCN)nn3)C2)cc1=O
InChIInChI=1S/C15H22N8O2.ClH/c1-21-14(24)6-12(8-18-21)22-4-2-11(9-22)7-17-15(25)13-10-23(5-3-16)20-19-13;/h6,8,10-11H,2-5,7,9,16H2,1H3,(H,17,25);1H
InChIKeyFGSFFYITXAHWFO-UHFFFAOYSA-N
MW382.86 g/mol
LogP-0.99
Rot. Bonds6

About 1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride

1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride (PubChem CID 154897288) has the molecular formula C15H23ClN8O2 and a molecular weight of 382.86 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride
PubChem CID154897288
Molecular FormulaC15H23ClN8O2
Molecular Weight382.86 g/mol
Exact Mass382.16
IUPAC Name1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride
SMILESCl.Cn1ncc(N2CCC(CNC(=O)c3cn(CCN)nn3)C2)cc1=O
InChIInChI=1S/C15H22N8O2.ClH/c1-21-14(24)6-12(8-18-21)22-4-2-11(9-22)7-17-15(25)13-10-23(5-3-16)20-19-13;/h6,8,10-11H,2-5,7,9,16H2,1H3,(H,17,25);1H
InChIKeyFGSFFYITXAHWFO-UHFFFAOYSA-N
XLogP-0.99
TPSA123.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70715798
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-pyrrolidin-1-ylpropanamide
CID 70728096
2,6-dimethoxy-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70722394
3-ethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 45242027
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-4-propylbenzamide
CID 70745919
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-oxopentanamide
CID 56881772
1-(2-aminoethyl)-N-[(3-hydroxycyclobutyl)methyl]triazole-4-carboxamide
CID 66004025
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1-propylpyrazole-4-carboxamide
CID 45221264
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70727053
4-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 50950008
2-methoxy-6-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70780609
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 70735953

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride (CID 154897288) is 1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride is Cl.Cn1ncc(N2CCC(CNC(=O)c3cn(CCN)nn3)C2)cc1=O.
What is the InChIKey of 1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is FGSFFYITXAHWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O2.ClH/c1-21-14(24)6-12(8-18-21)22-4-2-11(9-22)7-17-15(25)13-10-23(5-3-16)20-19-13;/h6,8,10-11H,2-5,7,9,16H2,1H3,(H,17,25);1H.
What are the key properties of 1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride?
1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 382.86 g/mol, XLogP of -0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 154897288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).