propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate

C20H17ClN6O4 — CID 155565410

IUPACpropan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)nn2c1
InChIInChI=1S/C20H17ClN6O4/c1-11(2)31-20(29)24-13-9-22-19-25-17(26-27(19)10-13)14-8-12(5-6-15(14)21)23-18(28)16-4-3-7-30-16/h3-11H,1-2H3,(H,23,28)(H,24,29)
InChIKeyJFUZMWQUXZAOOE-UHFFFAOYSA-N
MW440.85 g/mol
LogP4.25
Rot. Bonds5

About propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate

propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate (PubChem CID 155565410) has the molecular formula C20H17ClN6O4 and a molecular weight of 440.85 g/mol. Its IUPAC name is propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate
PubChem CID155565410
Molecular FormulaC20H17ClN6O4
Molecular Weight440.85 g/mol
Exact Mass440.10
IUPAC Namepropan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate
SMILESCC(C)OC(=O)Nc1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)nn2c1
InChIInChI=1S/C20H17ClN6O4/c1-11(2)31-20(29)24-13-9-22-19-25-17(26-27(19)10-13)14-8-12(5-6-15(14)21)23-18(28)16-4-3-7-30-16/h3-11H,1-2H3,(H,23,28)(H,24,29)
InChIKeyJFUZMWQUXZAOOE-UHFFFAOYSA-N
XLogP4.25
TPSA123.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.85
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate?
The IUPAC name of propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate (CID 155565410) is propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate is CC(C)OC(=O)Nc1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)nn2c1.
What is the InChIKey of propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate?
The InChIKey is JFUZMWQUXZAOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O4/c1-11(2)31-20(29)24-13-9-22-19-25-17(26-27(19)10-13)14-8-12(5-6-15(14)21)23-18(28)16-4-3-7-30-16/h3-11H,1-2H3,(H,23,28)(H,24,29).
What are the key properties of propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate?
propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate has a molecular weight of 440.85 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]carbamate is sourced from PubChem (CID 155565410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).