1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

C20H30N6O2 — CID 126792257

IUPAC1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCCc1nc2n(n1)CC(NC(=O)Nc1ccc(C)cc1OCCN(C)C)CC2
InChIInChI=1S/C20H30N6O2/c1-5-18-23-19-9-7-15(13-26(19)24-18)21-20(27)22-16-8-6-14(2)12-17(16)28-11-10-25(3)4/h6,8,12,15H,5,7,9-11,13H2,1-4H3,(H2,21,22,27)
InChIKeyGALATGWCTNYTTR-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.23
Rot. Bonds7

About 1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (PubChem CID 126792257) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
PubChem CID126792257
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
SMILESCCc1nc2n(n1)CC(NC(=O)Nc1ccc(C)cc1OCCN(C)C)CC2
InChIInChI=1S/C20H30N6O2/c1-5-18-23-19-9-7-15(13-26(19)24-18)21-20(27)22-16-8-6-14(2)12-17(16)28-11-10-25(3)4/h6,8,12,15H,5,7,9-11,13H2,1-4H3,(H2,21,22,27)
InChIKeyGALATGWCTNYTTR-UHFFFAOYSA-N
XLogP2.23
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea with MolForge

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Related Compounds

1-[2-[2-(diethylamino)ethoxy]phenyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 126788269
1-[(2-ethoxy-4-methylphenyl)methyl]-3-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124572180
2-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methoxypropanamide
CID 120989967
2-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]acetamide
CID 119889464
4-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoylamino]methyl]benzoic acid
CID 122002366
2-[ethyl-[3-[(4-methyl-2-propoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122076851
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide
CID 120647067
1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 155944996
2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041092
2-[[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041091
2-[[[(6R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 95313954

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The IUPAC name of 1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea (CID 126792257) is 1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is CCc1nc2n(n1)CC(NC(=O)Nc1ccc(C)cc1OCCN(C)C)CC2.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
The InChIKey is GALATGWCTNYTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-5-18-23-19-9-7-15(13-26(19)24-18)21-20(27)22-16-8-6-14(2)12-17(16)28-11-10-25(3)4/h6,8,12,15H,5,7,9-11,13H2,1-4H3,(H2,21,22,27).
What are the key properties of 1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea?
1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea has a molecular weight of 386.50 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea is sourced from PubChem (CID 126792257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).