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

C17H20N6O2 — CID 97054067

IUPAC1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
SMILESCCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc2nc(C)oc2c1
InChIInChI=1S/C17H20N6O2/c1-3-15-21-16-13(5-4-8-23(16)22-15)20-17(24)19-11-6-7-12-14(9-11)25-10(2)18-12/h6-7,9,13H,3-5,8H2,1-2H3,(H2,19,20,24)/t13-/m1/s1
InChIKeyMKDKLICNDFPVCU-CYBMUJFWSA-N
MW340.39 g/mol
LogP2.95
Rot. Bonds3

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

1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea (PubChem CID 97054067) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea.

Molecular Properties

Compound Name1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
PubChem CID97054067
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea
SMILESCCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc2nc(C)oc2c1
InChIInChI=1S/C17H20N6O2/c1-3-15-21-16-13(5-4-8-23(16)22-15)20-17(24)19-11-6-7-12-14(9-11)25-10(2)18-12/h6-7,9,13H,3-5,8H2,1-2H3,(H2,19,20,24)/t13-/m1/s1
InChIKeyMKDKLICNDFPVCU-CYBMUJFWSA-N
XLogP2.95
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
The IUPAC name of 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea (CID 97054067) is 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea.
What is the SMILES notation for 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
The canonical SMILES for 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea is CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc2nc(C)oc2c1.
What is the InChIKey of 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
The InChIKey is MKDKLICNDFPVCU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-3-15-21-16-13(5-4-8-23(16)22-15)20-17(24)19-11-6-7-12-14(9-11)25-10(2)18-12/h6-7,9,13H,3-5,8H2,1-2H3,(H2,19,20,24)/t13-/m1/s1.
What are the key properties of 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea?
1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea has a molecular weight of 340.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 97054067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).