1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea

C13H26N6O — CID 125435125

IUPAC1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCN(CCN(C)C)C(=O)N[C@H](C)c1ncnn1CC
InChIInChI=1S/C13H26N6O/c1-6-18(9-8-17(4)5)13(20)16-11(3)12-14-10-15-19(12)7-2/h10-11H,6-9H2,1-5H3,(H,16,20)/t11-/m1/s1
InChIKeyRUIDTDFQSBJUAX-LLVKDONJSA-N
MW282.39 g/mol
LogP0.95
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea

1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 125435125) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID125435125
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCCN(CCN(C)C)C(=O)N[C@H](C)c1ncnn1CC
InChIInChI=1S/C13H26N6O/c1-6-18(9-8-17(4)5)13(20)16-11(3)12-14-10-15-19(12)7-2/h10-11H,6-9H2,1-5H3,(H,16,20)/t11-/m1/s1
InChIKeyRUIDTDFQSBJUAX-LLVKDONJSA-N
XLogP0.95
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-3-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methylurea
CID 122567766
4-[[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 125437669
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea
CID 125443345
4-chloro-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448966
4-chloro-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448965
3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methyl-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 125442424
1-(1-ethyltriazol-4-yl)-3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97454722
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91784996
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-hydroxyphenyl)acetamide
CID 91770168
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 70759937
1-[2-(dimethylamino)ethyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)urea
CID 94119987
1-propan-2-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 119065761

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea (CID 125435125) is 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea is CCN(CCN(C)C)C(=O)N[C@H](C)c1ncnn1CC.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is RUIDTDFQSBJUAX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26N6O/c1-6-18(9-8-17(4)5)13(20)16-11(3)12-14-10-15-19(12)7-2/h10-11H,6-9H2,1-5H3,(H,16,20)/t11-/m1/s1.
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea?
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 282.39 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 125435125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).