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

C18H25N5O2 — CID 124559557

IUPAC1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCC(C)c1ccccc1OCCNC(=O)N[C@H]1CCc2ncnn2C1
InChIInChI=1S/C18H25N5O2/c1-13(2)15-5-3-4-6-16(15)25-10-9-19-18(24)22-14-7-8-17-20-12-21-23(17)11-14/h3-6,12-14H,7-11H2,1-2H3,(H2,19,22,24)/t14-/m0/s1
InChIKeyIWGIFUAFIVQEOU-AWEZNQCLSA-N
MW343.43 g/mol
LogP2.09
Rot. Bonds6

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

1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (PubChem CID 124559557) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
PubChem CID124559557
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCC(C)c1ccccc1OCCNC(=O)N[C@H]1CCc2ncnn2C1
InChIInChI=1S/C18H25N5O2/c1-13(2)15-5-3-4-6-16(15)25-10-9-19-18(24)22-14-7-8-17-20-12-21-23(17)11-14/h3-6,12-14H,7-11H2,1-2H3,(H2,19,22,24)/t14-/m0/s1
InChIKeyIWGIFUAFIVQEOU-AWEZNQCLSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
2-(2-phenylmethoxyphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)acetamide
CID 126767732
1-(2-propan-2-ylsulfanylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86800724
1-(2-fluoro-6-methoxyphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 119034653
1-[2-methyl-3-(propan-2-yloxymethyl)phenyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99632749
1-(2,2-difluoro-1-phenylethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 127265980
1-(5-methyl-2-pyridinyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804769
1-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124559551
N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide
CID 95291986
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459
1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 95622093
4-[2-(2-propan-2-ylphenoxy)ethylcarbamoylamino]butanoic acid
CID 122001770

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The IUPAC name of 1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (CID 124559557) is 1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-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-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The canonical SMILES for 1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is CC(C)c1ccccc1OCCNC(=O)N[C@H]1CCc2ncnn2C1.
What is the InChIKey of 1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The InChIKey is IWGIFUAFIVQEOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13(2)15-5-3-4-6-16(15)25-10-9-19-18(24)22-14-7-8-17-20-12-21-23(17)11-14/h3-6,12-14H,7-11H2,1-2H3,(H2,19,22,24)/t14-/m0/s1.
What are the key properties of 1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea has a molecular weight of 343.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is sourced from PubChem (CID 124559557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).