1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide

C13H24N6O — CID 79314420

IUPAC1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)c1cn(CCN)nn1
InChIInChI=1S/C13H24N6O/c1-3-18-7-4-5-11(18)9-17(2)13(20)12-10-19(8-6-14)16-15-12/h10-11H,3-9,14H2,1-2H3
InChIKeyOQLLTCHCVRCTJU-UHFFFAOYSA-N
MW280.38 g/mol
LogP-0.21
Rot. Bonds6

About 1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide

1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide (PubChem CID 79314420) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide
PubChem CID79314420
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)c1cn(CCN)nn1
InChIInChI=1S/C13H24N6O/c1-3-18-7-4-5-11(18)9-17(2)13(20)12-10-19(8-6-14)16-15-12/h10-11H,3-9,14H2,1-2H3
InChIKeyOQLLTCHCVRCTJU-UHFFFAOYSA-N
XLogP-0.21
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide
CID 107398533
6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 103890012
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79313970
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 79314331
4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide
CID 79303494
N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
CID 25385733
4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79311218
[1-(2-aminoethyl)triazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495450
4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 82813502
1-(azetidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]triazole-4-carboxamide
CID 79327138
N-[[(2S)-1-(2-aminoethyl)pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 66567395
1-(2-aminoethyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 95894612

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide (CID 79314420) is 1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide is CCN1CCCC1CN(C)C(=O)c1cn(CCN)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide?
The InChIKey is OQLLTCHCVRCTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-3-18-7-4-5-11(18)9-17(2)13(20)12-10-19(8-6-14)16-15-12/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide?
1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide has a molecular weight of 280.38 g/mol, XLogP of -0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 79314420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).