1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea

C15H22N6O2 — CID 94114337

IUPAC1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCC(C)Oc1ncccc1CNC(=O)N[C@H](C)c1nncn1C
InChIInChI=1S/C15H22N6O2/c1-10(2)23-14-12(6-5-7-16-14)8-17-15(22)19-11(3)13-20-18-9-21(13)4/h5-7,9-11H,8H2,1-4H3,(H2,17,19,22)/t11-/m1/s1
InChIKeyBHNFEMYZRHXIKO-LLVKDONJSA-N
MW318.38 g/mol
LogP1.56
Rot. Bonds6

About 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea

1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea (PubChem CID 94114337) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
PubChem CID94114337
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCC(C)Oc1ncccc1CNC(=O)N[C@H](C)c1nncn1C
InChIInChI=1S/C15H22N6O2/c1-10(2)23-14-12(6-5-7-16-14)8-17-15(22)19-11(3)13-20-18-9-21(13)4/h5-7,9-11H,8H2,1-4H3,(H2,17,19,22)/t11-/m1/s1
InChIKeyBHNFEMYZRHXIKO-LLVKDONJSA-N
XLogP1.56
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-1,2,4-Triazole-3,5-diamine, 1-methyl-N(sup 5)-(4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)-, (Z)-
CID 24847169
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45816665
1-(2,5-Dimethylpyrazol-3-yl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 45825557
1-[(2-Cyclopentyloxy-3-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828005
1-[(2-Methoxy-3-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828049
1-[(2-Ethoxy-3-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828053
1-[(2-Propan-2-yloxy-3-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828492
N-[[6-(4-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45908312
1-(2,5-Dimethylpyrazol-3-yl)-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 47198184
1-(2-Methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 47252864
1-(2,5-Dimethylpyrazol-3-yl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 51080213
1-[(2-Cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 51080214

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea (CID 94114337) is 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea is CC(C)Oc1ncccc1CNC(=O)N[C@H](C)c1nncn1C.
What is the InChIKey of 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
The InChIKey is BHNFEMYZRHXIKO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-10(2)23-14-12(6-5-7-16-14)8-17-15(22)19-11(3)13-20-18-9-21(13)4/h5-7,9-11H,8H2,1-4H3,(H2,17,19,22)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea?
1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea has a molecular weight of 318.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 94114337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).