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

C18H25N5O2 — CID 71972104

IUPAC1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCCOCc1ccc(NC(=O)NC2CCCn3nc(CC)nc32)cc1
InChIInChI=1S/C18H25N5O2/c1-3-16-21-17-15(6-5-11-23(17)22-16)20-18(24)19-14-9-7-13(8-10-14)12-25-4-2/h7-10,15H,3-6,11-12H2,1-2H3,(H2,19,20,24)
InChIKeyIKKKSZIVSSIILE-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.03
Rot. Bonds6

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

1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (PubChem CID 71972104) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
PubChem CID71972104
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCCOCc1ccc(NC(=O)NC2CCCn3nc(CC)nc32)cc1
InChIInChI=1S/C18H25N5O2/c1-3-16-21-17-15(6-5-11-23(17)22-16)20-18(24)19-14-9-7-13(8-10-14)12-25-4-2/h7-10,15H,3-6,11-12H2,1-2H3,(H2,19,20,24)
InChIKeyIKKKSZIVSSIILE-UHFFFAOYSA-N
XLogP3.03
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 71972136
1-(2H-benzotriazol-5-yl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 75431637
1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 97054067
1-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[3-[(R)-methylsulfinyl]phenyl]urea
CID 97054229
1-(2,3-dihydro-1H-inden-5-yl)-3-[(8R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97063175
1-(1,3-benzothiazol-2-yl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 71856187
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97054164
3-ethoxy-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1,2-oxazole-5-carboxamide
CID 126814542
1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 97050779
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea
CID 84587077
3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)cyclohexane-1-carboxamide
CID 119900248
3-amino-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide;dihydrochloride
CID 119954217

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The IUPAC name of 1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (CID 71972104) is 1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.
What is the SMILES notation for 1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The canonical SMILES for 1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is CCOCc1ccc(NC(=O)NC2CCCn3nc(CC)nc32)cc1.
What is the InChIKey of 1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The InChIKey is IKKKSZIVSSIILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-16-21-17-15(6-5-11-23(17)22-16)20-18(24)19-14-9-7-13(8-10-14)12-25-4-2/h7-10,15H,3-6,11-12H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea has a molecular weight of 343.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is sourced from PubChem (CID 71972104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).