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

C18H25N5O2 — CID 96990190

IUPAC1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C18H25N5O2/c1-12(2)25-15-7-4-6-14(10-15)11-19-18(24)21-16-8-5-9-23-17(16)20-13(3)22-23/h4,6-7,10,12,16H,5,8-9,11H2,1-3H3,(H2,19,21,24)/t16-/m0/s1
InChIKeyFRGCYVFRTSEFIH-INIZCTEOSA-N
MW343.43 g/mol
LogP2.71
Rot. Bonds5

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

1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea (PubChem CID 96990190) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
PubChem CID96990190
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
SMILESCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C18H25N5O2/c1-12(2)25-15-7-4-6-14(10-15)11-19-18(24)21-16-8-5-9-23-17(16)20-13(3)22-23/h4,6-7,10,12,16H,5,8-9,11H2,1-3H3,(H2,19,21,24)/t16-/m0/s1
InChIKeyFRGCYVFRTSEFIH-INIZCTEOSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 111930602
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 51122734
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55922865
1-[(1S)-cyclohex-3-en-1-yl]-3-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 96995511
1-[[3-[(2S)-butan-2-yl]oxyphenyl]methyl]-3-cyclobutylurea
CID 125437513
1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea
CID 122559038
N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide
CID 97102372
5-cyclopropyl-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]triazole-4-carboxamide
CID 86874503
1-[1-(hydroxymethyl)cyclopentyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 71917886
N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide
CID 122556142
2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 86880650
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55909982

Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The IUPAC name of 1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea (CID 96990190) is 1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The canonical SMILES for 1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea is Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1cccc(OC(C)C)c1.
What is the InChIKey of 1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
The InChIKey is FRGCYVFRTSEFIH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)25-15-7-4-6-14(10-15)11-19-18(24)21-16-8-5-9-23-17(16)20-13(3)22-23/h4,6-7,10,12,16H,5,8-9,11H2,1-3H3,(H2,19,21,24)/t16-/m0/s1.
What are the key properties of 1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea?
1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea has a molecular weight of 343.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea is sourced from PubChem (CID 96990190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).