1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea

C18H25N5O2 — CID 124844930

IUPAC1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
SMILESCC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CCCn2ncnc21
InChIInChI=1S/C18H25N5O2/c1-18(2,12-25-11-14-7-4-3-5-8-14)22-17(24)21-15-9-6-10-23-16(15)19-13-20-23/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyHBXSEFYZTFNDOQ-OAHLLOKOSA-N
MW343.43 g/mol
LogP2.41
Rot. Bonds6

About 1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea

1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea (PubChem CID 124844930) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea.

Molecular Properties

Compound Name1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
PubChem CID124844930
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
SMILESCC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CCCn2ncnc21
InChIInChI=1S/C18H25N5O2/c1-18(2,12-25-11-14-7-4-3-5-8-14)22-17(24)21-15-9-6-10-23-16(15)19-13-20-23/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyHBXSEFYZTFNDOQ-OAHLLOKOSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea with MolForge

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Related Compounds

1-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124844383
1-(2-hydroxy-3-phenylpropyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 111969612
1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124852141
2-methyl-N-[(3S)-1-[2-[(2-methyl-1-phenylmethoxypropan-2-yl)carbamoylamino]ethyl]piperidin-3-yl]propanamide
CID 100706995
1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124845954
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124852777
2,2-dimethyl-3-phenylmethoxy-1-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 100738877
1-[2-(5-tert-butyl-1,3,4-oxadiazole-2-carbonyl)pyrrolidin-1-yl]-2-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]ethanone
CID 11282177
N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide
CID 119051213
tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate
CID 97258682
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea?
The IUPAC name of 1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea (CID 124844930) is 1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea.
What is the SMILES notation for 1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea?
The canonical SMILES for 1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea is CC(C)(COCc1ccccc1)NC(=O)N[C@@H]1CCCn2ncnc21.
What is the InChIKey of 1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea?
The InChIKey is HBXSEFYZTFNDOQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,12-25-11-14-7-4-3-5-8-14)22-17(24)21-15-9-6-10-23-16(15)19-13-20-23/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H2,21,22,24)/t15-/m1/s1.
What are the key properties of 1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea?
1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-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 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea is sourced from PubChem (CID 124844930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).