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

C18H25N5O2 — CID 97050779

IUPAC1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCCc1nc2n(n1)CCC[C@H]2NC(=O)NCCOc1ccccc1C
InChIInChI=1S/C18H25N5O2/c1-3-16-21-17-14(8-6-11-23(17)22-16)20-18(24)19-10-12-25-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3,(H2,19,20,24)/t14-/m1/s1
InChIKeyUJTWTONGJNOXJZ-CQSZACIVSA-N
MW343.43 g/mol
LogP2.36
Rot. Bonds6

About 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

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 (PubChem CID 97050779) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[2-(2-methylphenoxy)ethyl]urea
PubChem CID97050779
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCCc1nc2n(n1)CCC[C@H]2NC(=O)NCCOc1ccccc1C
InChIInChI=1S/C18H25N5O2/c1-3-16-21-17-14(8-6-11-23(17)22-16)20-18(24)19-10-12-25-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3,(H2,19,20,24)/t14-/m1/s1
InChIKeyUJTWTONGJNOXJZ-CQSZACIVSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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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-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 51089236
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-[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-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
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
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-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60547514
1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 71969595
2-cyclopentyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 60538479
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2n(n1)CCC[C@H]2NC(=O)NCCOc1ccccc1C.
What is the InChIKey of 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?
The InChIKey is UJTWTONGJNOXJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-16-21-17-14(8-6-11-23(17)22-16)20-18(24)19-10-12-25-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3,(H2,19,20,24)/t14-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 343.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 97050779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).