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

C18H25N5O2 — CID 71972136

IUPAC1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCCOc1cc(NC(=O)NC2CCCn3nc(CC)nc32)ccc1C
InChIInChI=1S/C18H25N5O2/c1-4-16-21-17-14(7-6-10-23(17)22-16)20-18(24)19-13-9-8-12(3)15(11-13)25-5-2/h8-9,11,14H,4-7,10H2,1-3H3,(H2,19,20,24)
InChIKeyDGQSACIHBXFWJC-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.20
Rot. Bonds5

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

1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (PubChem CID 71972136) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
PubChem CID71972136
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCCOc1cc(NC(=O)NC2CCCn3nc(CC)nc32)ccc1C
InChIInChI=1S/C18H25N5O2/c1-4-16-21-17-14(7-6-10-23(17)22-16)20-18(24)19-13-9-8-12(3)15(11-13)25-5-2/h8-9,11,14H,4-7,10H2,1-3H3,(H2,19,20,24)
InChIKeyDGQSACIHBXFWJC-UHFFFAOYSA-N
XLogP3.20
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[4-(ethoxymethyl)phenyl]-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 71972104
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-[(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-(3-ethoxy-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 56824217
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-(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
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
2-ethyl-N-[(8S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 125144382

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The IUPAC name of 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) is 1-(3-ethoxy-4-methylphenyl)-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-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The canonical SMILES for 1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is CCOc1cc(NC(=O)NC2CCCn3nc(CC)nc32)ccc1C.
What is the InChIKey of 1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The InChIKey is DGQSACIHBXFWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-16-21-17-14(7-6-10-23(17)22-16)20-18(24)19-13-9-8-12(3)15(11-13)25-5-2/h8-9,11,14H,4-7,10H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
1-(3-ethoxy-4-methylphenyl)-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 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methylphenyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is sourced from PubChem (CID 71972136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).