1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide

C12H21N5O — CID 107398533

IUPAC1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide
SMILESCCN(CC1CCC1)C(=O)c1cn(CCN)nn1
InChIInChI=1S/C12H21N5O/c1-2-16(8-10-4-3-5-10)12(18)11-9-17(7-6-13)15-14-11/h9-10H,2-8,13H2,1H3
InChIKeyZJYAKZBCSVRKQG-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.50
Rot. Bonds6

About 1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide

1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide (PubChem CID 107398533) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide
PubChem CID107398533
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide
SMILESCCN(CC1CCC1)C(=O)c1cn(CCN)nn1
InChIInChI=1S/C12H21N5O/c1-2-16(8-10-4-3-5-10)12(18)11-9-17(7-6-13)15-14-11/h9-10H,2-8,13H2,1H3
InChIKeyZJYAKZBCSVRKQG-UHFFFAOYSA-N
XLogP0.50
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[cyclobutylmethyl(ethyl)amino]ethyl]triazole-4-carbohydrazide
CID 107402406
1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide
CID 79314420
N-(cyclopropylmethyl)-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 63954765
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107396959
1-(2-aminoethyl)-N-cyclopentyloxytriazole-4-carboxamide
CID 83235479
1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 45179659
[1-(2-aminoethyl)triazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495450
ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 107400437
N-(cyclobutylmethyl)-N-ethyl-6-hydrazinylpyridine-2-carboxamide
CID 107401457
1-(2-aminoethyl)-N-(cyanomethyl)-N-prop-2-ynyltriazole-4-carboxamide
CID 114208818
3-amino-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107397900
1-(2-aminoethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]triazole-4-carboxamide
CID 105417102

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide (CID 107398533) is 1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide is CCN(CC1CCC1)C(=O)c1cn(CCN)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide?
The InChIKey is ZJYAKZBCSVRKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-16(8-10-4-3-5-10)12(18)11-9-17(7-6-13)15-14-11/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide?
1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyltriazole-4-carboxamide is sourced from PubChem (CID 107398533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).