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

C18H25N5O2 — CID 99632749

IUPAC1-[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
SMILESCc1c(COC(C)C)cccc1NC(=O)N[C@@H]1CCc2ncnn2C1
InChIInChI=1S/C18H25N5O2/c1-12(2)25-10-14-5-4-6-16(13(14)3)22-18(24)21-15-7-8-17-19-11-20-23(17)9-15/h4-6,11-12,15H,7-10H2,1-3H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyUTJWJLLETAASCA-OAHLLOKOSA-N
MW343.43 g/mol
LogP2.65
Rot. Bonds5

About 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

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 (PubChem CID 99632749) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID99632749
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[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
SMILESCc1c(COC(C)C)cccc1NC(=O)N[C@@H]1CCc2ncnn2C1
InChIInChI=1S/C18H25N5O2/c1-12(2)25-10-14-5-4-6-16(13(14)3)22-18(24)21-15-7-8-17-19-11-20-23(17)9-15/h4-6,11-12,15H,7-10H2,1-3H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyUTJWJLLETAASCA-OAHLLOKOSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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1-(5-methyl-2-pyridinyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86804769
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1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
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(3R)-3-hydroxy-N-[2-methyl-3-(propan-2-yloxymethyl)phenyl]pyrrolidine-1-carboxamide
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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
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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
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CID 129482090

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(COC(C)C)cccc1NC(=O)N[C@@H]1CCc2ncnn2C1.
What is the InChIKey of 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?
The InChIKey is UTJWJLLETAASCA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)25-10-14-5-4-6-16(13(14)3)22-18(24)21-15-7-8-17-19-11-20-23(17)9-15/h4-6,11-12,15H,7-10H2,1-3H3,(H2,21,22,24)/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 343.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 99632749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).